N-(4-fluorophenyl)-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)acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-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)acetamide
N-(4-fluorophenyl)-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)acetamide
Compound characteristics
| Compound ID: | K284-5583 |
| Compound Name: | N-(4-fluorophenyl)-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)acetamide |
| Molecular Weight: | 589.65 |
| Molecular Formula: | C30 H28 F N5 O5 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(Nc1ccc(cc1)F)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9861 |
| logD: | 3.9859 |
| logSw: | -4.1791 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.667 |
| InChI Key: | MNVREOAASOHWEN-UHFFFAOYSA-N |