7-chloro-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-chloro-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-chloro-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0349 |
| Compound Name: | 7-chloro-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 332.81 |
| Molecular Formula: | C16 H13 Cl N2 O2 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9364 |
| logD: | 3.9102 |
| logSw: | -4.3944 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.862 |
| InChI Key: | BGUNVKZQJYPEGD-UHFFFAOYSA-N |