N-[(2-chlorophenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-[(2-chlorophenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-5173 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C22 H22 Cl N3 O4 S |
| Smiles: | C(CCC(NCc1ccccc1[Cl])=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0335 |
| logD: | 4.0116 |
| logSw: | -4.3283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.883 |
| InChI Key: | CRCXLQSIYYFYSM-UHFFFAOYSA-N |