AC1NRYL1
N-[[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxybenzamide
Also Known As: Oprea1_439766|CCG-4733|AB00107757-01|N-((3-hydroxy-4-(5-methylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)-3-methoxybenzamide|N-{[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-methoxybenzamide|3-methoxy-N-[[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide|3-methoxy-N-[[(4Z)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide|3-methoxy-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide
| Molecular Formula | C23H19N3O4S |
|---|---|
| Molecular Weight | 433.10962 g/mol |
| LogP | 4.64422 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.10962 |
| Monoisotopic Mass | 433.10962 |
| Heavy Atoms | 31 |
| Complexity | 1299.2262 |
Chemical Identifiers
| CAS Number | 371237-10-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OC)O |
Product Overview
AC1NRYL1 (CAS 371237-10-4), with molecular formula C23H19N3O4S and molecular weight 433.10962 g/mol. IUPAC: N-[[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methoxybenzamide.