ChemDiv1_013585
4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: ChemDiv1_013585|Oprea1_508063|HMS625J11|SR-01000559552-1|4-{[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide|F3407-3956|4-((2-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-((tetrahydrofuran-2-yl)methyl)cyclohexanecarboxamide|4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
| Molecular Formula | C31H38N4O5S |
|---|---|
| Molecular Weight | 578.2563 g/mol |
| LogP | 4.6276 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 578.2563 |
| Monoisotopic Mass | 578.2563 |
| Heavy Atoms | 41 |
| Complexity | 1395.8788 |
Chemical Identifiers
| CAS Number | 439792-32-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5CCCO5 |
Product Overview
ChemDiv1_013585 (CAS 439792-32-2), with molecular formula C31H38N4O5S and molecular weight 578.2563 g/mol. IUPAC: 4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.