N-[(4-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-[(4-chlorophenyl)methyl]-6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
N-[(4-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: | K284-5171 |
Compound Name: | N-[(4-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(NCc1ccc(cc1)[Cl])=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
Stereo: | ACHIRAL |
logP: | 3.8462 |
logD: | 3.8244 |
logSw: | -4.4463 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.883 |
InChI Key: | FSPSLYSZQMGIFT-UHFFFAOYSA-N |