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)butanamide
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)butanamide
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)butanamide
Compound characteristics
| Compound ID: | K284-5228 |
| 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)butanamide |
| Molecular Weight: | 544.07 |
| Molecular Formula: | C26 H30 Cl N5 O4 S |
| Smiles: | C(CC(NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O)CN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5922 |
| logD: | 2.0061 |
| logSw: | -3.6921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.968 |
| InChI Key: | XNEJSDIAQXAZTD-UHFFFAOYSA-N |