ChemDiv1_013411
4-[[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
Also Known As: ChemDiv1_013411|Oprea1_798476|HMS625B13|SR-01000559561-1|4-{[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide|F3407-3960|4-((2-((2-((2-chlorophenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-((tetrahydrofuran-2-yl)methyl)cyclohexanecarboxamide|4-[[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
| Molecular Formula | C29H33ClN4O4S |
|---|---|
| Molecular Weight | 568.1911 g/mol |
| LogP | 4.8823 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 568.1911 |
| Monoisotopic Mass | 568.1911 |
| Heavy Atoms | 39 |
| Complexity | 1383.2053 |
Chemical Identifiers
| CAS Number | 439792-41-3 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=CC=C5Cl |
Product Overview
ChemDiv1_013411 (CAS 439792-41-3), with molecular formula C29H33ClN4O4S and molecular weight 568.1911 g/mol. IUPAC: 4-[[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
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