methyl 3-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0364 |
| Compound Name: | methyl 3-(4-{[2-(4-chlorophenyl)ethyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C25 H20 Cl N3 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(NCCc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9834 |
| logD: | 3.9621 |
| logSw: | -4.569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.135 |
| InChI Key: | HRDYEVSZKFSIAI-UHFFFAOYSA-N |