N-[(3-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0060936 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-(2,5-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(c(c1)N1C(c2ccc(cc2NC1=S)C(NCc1cccc(c1)[Cl])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3746 |
| logD: | 4.3729 |
| logSw: | -4.618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.993 |
| InChI Key: | VVFJBEHRJLTGNB-UHFFFAOYSA-N |