N-(3-chloro-4-methylphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-chloro-4-methylphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061221 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C22 H16 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0874 |
| logD: | 5.0309 |
| logSw: | -5.3004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.798 |
| InChI Key: | HRIHLGSGTJWUJI-UHFFFAOYSA-N |