2-({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-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-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]butanamide
2-({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-5572 |
| Compound Name: | 2-({8-oxo-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]butanamide |
| Molecular Weight: | 614.72 |
| Molecular Formula: | C32 H34 N6 O5 S |
| Smiles: | CCC(C(NCc1cccnc1)=O)SC1=Nc2cc3c(cc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2574 |
| logD: | 3.255 |
| logSw: | -3.3689 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.72 |
| InChI Key: | GBXGQWFXELDYJA-NDEPHWFRSA-N |