N-[(4-methylphenyl)methyl]-2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetamide
N-[(4-methylphenyl)methyl]-2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K284-5954 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 661.78 |
| Molecular Formula: | C37 H35 N5 O5 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3cc4c(cc3C(N2Cc2ccc(cc2)C(N2CCN(CC2)c2ccccc2)=O)=O)OCO4)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3851 |
| logD: | 5.3851 |
| logSw: | -5.337 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.267 |
| InChI Key: | RYJDCMKIPVAIFR-UHFFFAOYSA-N |