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-[(pyridin-3-yl)methyl]butanamide
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-[(pyridin-3-yl)methyl]butanamide
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-[(pyridin-3-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-5955 |
| 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-[(pyridin-3-yl)methyl]butanamide |
| Molecular Weight: | 676.8 |
| Molecular Formula: | C37 H36 N6 O5 S |
| Smiles: | CCC(C(NCc1cccnc1)=O)SC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5808 |
| logD: | 4.5784 |
| logSw: | -4.0427 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.998 |
| InChI Key: | NVRBQFOTPBAAKQ-XIFFEERXSA-N |