| CAS Number | 334951-90-5 |
| Catalog Number | AG01FS4L(AGN-PC-0R8ZXF) |
| Chemical Name | 1H-Indole-6-carboxamide,N-ethyl-2,3-dihydro-N-methyl-2-oxo-3-[phenyl[[4-(1-piperidinylmethyl)phenyl]amino]methylene]-, (3Z)- |
| IUPAC Name | N-ethyl-2-hydroxy-N-methyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide |
| InChI | InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,33,36H,3,5,8-9,18-19,21H2,1-2H3 |
| InChI Key | JGQSLTZPBLZNBX-UHFFFAOYSA-N |
| MDL Number | MFCD25976645 |
| Molecular Formula | C31H34N4O2 |
| Molecular Weight | 494.6273 |
| SMILES | C(C)N(C(=O)C1=CC=C2/C(/C(NC2=C1)=O)=C(/NC1=CC=C(C=C1)CN1CCCCC1)\C1=CC=CC=C1)C |
| Synonyms | BIBF0775,
334951-90-5,
(3z)-N-Ethyl-N-Methyl-2-Oxo-3-(Phenyl{[4-(Piperidin-1-Ylmethyl)phenyl]amino}methylidene)-2,3-Dihydro-1h-Indole-6-Carboxamide,
SCHEMBL3151537,
SCHEMBL3151544,
MUSRTIADFPCYTQ-ZIADKAODSA-N,
BCP30371,
BIBF-0775; BIBF 0775,
HY-13783,
AK01050346,
CS-0007863,
Q27468028,
3-z-[1-(4-(piperidin-1-yl-methyl)-anilino)-1-phenyl-methylene]-6-(n-ethyl-n-methyl-carbamoyl)-2-indolinone,
CHEMBL496862,
|
| Complexity | 767 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 494.268176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 494.6g/mol |
| Monoisotopic Mass | 494.268176g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 71.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number