7-[(4-methylphenyl)methyl]-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-[(4-methylphenyl)methyl]-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-[(4-methylphenyl)methyl]-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5113 |
| Compound Name: | 7-[(4-methylphenyl)methyl]-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C17 H14 N2 O3 S |
| Smiles: | Cc1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7754 |
| logD: | 3.7683 |
| logSw: | -3.8772 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.433 |
| InChI Key: | DOPBIMHIKFQXTN-UHFFFAOYSA-N |