N-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | K284-5964 |
| Compound Name: | N-(4-fluorophenyl)-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: | 651.72 |
| Molecular Formula: | C35 H30 F N5 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(Nc2ccc(cc2)F)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3095 |
| logD: | 5.3094 |
| logSw: | -5.6479 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.945 |
| InChI Key: | QUMXRCOXFKKKBC-UHFFFAOYSA-N |