3-benzyl-N-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-benzyl-N-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061277 |
| Compound Name: | 3-benzyl-N-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C23 H18 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc2C(N(Cc3ccccc3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9206 |
| logD: | 4.9047 |
| logSw: | -4.9716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.04 |
| InChI Key: | DHCGDDGRJWHHSV-UHFFFAOYSA-N |