methyl 3-(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0361 |
| Compound Name: | methyl 3-(4-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C24 H18 Cl N3 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(NCc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0499 |
| logD: | 4.0285 |
| logSw: | -4.5171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.294 |
| InChI Key: | ZUXRCJVEKRUWAC-UHFFFAOYSA-N |