6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0582 |
| Compound Name: | 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C18 H17 Cl N2 O3 S |
| Smiles: | COc1ccc(CCN2C(c3cc(ccc3NC2=S)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7186 |
| logD: | 3.5515 |
| logSw: | -4.2549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.557 |
| InChI Key: | NDQYQBXGRAOWBG-UHFFFAOYSA-N |