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]-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
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]-N-(2-phenylethyl)acetamide
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]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | K284-5956 |
| Compound Name: | 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]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 661.78 |
| Molecular Formula: | C37 H35 N5 O5 S |
| Smiles: | C(CNC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)=O)=O)OCO3)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7364 |
| logD: | 4.7364 |
| logSw: | -4.6149 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.108 |
| InChI Key: | SAXGNGUXOMBNML-UHFFFAOYSA-N |