N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5387 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 592.12 |
| Molecular Formula: | C30 H30 Cl N5 O4 S |
| Smiles: | C(CNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3586 |
| logD: | 3.8147 |
| logSw: | -4.518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.931 |
| InChI Key: | ROAARSMZZXFUND-UHFFFAOYSA-N |