3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0132 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | COc1ccc(CCN2C(c3cc(c(cc3NC2=S)OC)OC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6557 |
| logD: | 2.5949 |
| logSw: | -3.2363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.818 |
| InChI Key: | CKMQWKLCANBRHD-UHFFFAOYSA-N |