N-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061490 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 485.92 |
| Molecular Formula: | C23 H17 Cl F N3 O4 S |
| Smiles: | COc1ccc(c(c1)N1C(c2ccc(cc2NC1=S)C(Nc1ccc(c(c1)[Cl])F)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7415 |
| logD: | 4.4167 |
| logSw: | -4.9664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.671 |
| InChI Key: | BOKOMQUXFWCTRJ-UHFFFAOYSA-N |