N-[(oxolan-2-yl)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-[(oxolan-2-yl)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-[(oxolan-2-yl)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: | K284-5952 |
| Compound Name: | N-[(oxolan-2-yl)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: | 641.75 |
| Molecular Formula: | C34 H35 N5 O6 S |
| Smiles: | C1CC(CNC(CSC2=Nc3cc4c(cc3C(N2Cc2ccc(cc2)C(N2CCN(CC2)c2ccccc2)=O)=O)OCO4)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4172 |
| logD: | 3.4172 |
| logSw: | -3.8301 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.921 |
| InChI Key: | NMAVEGHAMUIMNC-AREMUKBSSA-N |