N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061882 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C24 H20 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccc(cc2NC1=S)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.737 |
| logD: | 3.7302 |
| logSw: | -4.3799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.381 |
| InChI Key: | OFJAGEVCNHRXII-UHFFFAOYSA-N |