[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetonitrile
Chemical Structure Depiction of
[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetonitrile
[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetonitrile
Compound characteristics
| Compound ID: | K284-5927 |
| Compound Name: | [(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]acetonitrile |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C29 H25 N5 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC#N)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8689 |
| logD: | 3.8689 |
| logSw: | -4.0337 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.559 |
| InChI Key: | AHTGVVRULKQDDS-UHFFFAOYSA-N |