| CAS Number | 1383478-94-1 |
| Catalog Number | AG009E2G(AGN-PC-0WOZ3G) |
| Chemical Name | N-[4-[(Dimethylamino)sulfonyl]phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinecarbothioamide |
| IUPAC Name | N-[4-(dimethylsulfamoyl)phenyl]-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide |
| InChI | InChI=1S/C27H31N3O3S2/c1-29(2)35(32,33)25-15-13-24(14-16-25)28-26(34)30-19-17-23(18-20-30)27(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,31H,17-20H2,1-2H3,(H,28,34) |
| InChI Key | VAUKHARIAMDAGF-UHFFFAOYSA-N |
| MDL Number | MFCD22683854 |
| Molecular Formula | C27H31N3O3S2 |
| Molecular Weight | 509.6833 |
| SMILES | CN(S(=O)(=O)C1=CC=C(C=C1)NC(=S)N1CCC(CC1)C(C1=CC=CC=C1)(C1=CC=CC=C1)O)C |
| Synonyms | 1383478-94-1,
CYM 9484,
CHEMBL2030155,
N-[4-[(Dimethylamino)sulfonyl]phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinecarbothioamide,
SCHEMBL15920295,
BDBM50384216,
ZINC84757153,
AKOS024458249,
NCGC00379167-01,
VAUKHARIAMDAGF-UHFFFAOYSA-N,
|
| Complexity | 767 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 509.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 509.683g/mol |
| Monoisotopic Mass | 509.181g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number