| CAS Number | 494772-86-0 |
| Catalog Number | AG00DAAH(AGN-PC-0MWHUU) |
| Chemical Name | 3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide |
| IUPAC Name | 3-(carbamoylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide |
| InChI | InChI=1S/C17H20N4O3S/c18-16(22)15-13(20-17(19)23)9-14(25-15)12-3-1-11(2-4-12)10-21-5-7-24-8-6-21/h1-4,9H,5-8,10H2,(H2,18,22)(H3,19,20,23) |
| InChI Key | MOWJKFWTFZWXHW-UHFFFAOYSA-N |
| MDL Number | MFCD27977686 |
| Molecular Formula | C17H20N4O3S |
| Molecular Weight | 360.4307 |
| SMILES | O=C(N)C(S1)=C(NC(N)=O)C=C1C2=CC=C(C=C2)CN3CCOCC3 |
| Synonyms | 494772-86-0,
3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide,
CAY10657,
Aztak1 inhibitor,
3-[(Aminocarbonyl)amino]-5-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide,
MLS006010842,
SCHEMBL1928700,
CHEMBL3182420,
DTXSID20433477,
MFCD27977686,
ZINC34055196,
NCGC00274038-01,
SMR004701768,
FT-0662344,
CID9968854,
3-(carbamoylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.432g/mol |
| Monoisotopic Mass | 360.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 139A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number