N-[2-(4-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
N-[2-(4-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
Compound characteristics
| Compound ID: | K284-5335 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C20 H18 Cl N3 O4 S |
| Smiles: | C(CN1C(c2cc3c(cc2NC1=S)OCO3)=O)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8641 |
| logD: | 2.8372 |
| logSw: | -3.7501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.725 |
| InChI Key: | LXQQMQQEVUBARI-UHFFFAOYSA-N |