N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061497 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C24 H20 Cl N3 O5 S |
| Smiles: | COc1ccc(c(c1)N1C(c2ccc(cc2NC1=S)C(Nc1ccc(c(c1)[Cl])OC)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5219 |
| logD: | 4.506 |
| logSw: | -4.6992 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.301 |
| InChI Key: | QEGAGGMWAIBXKG-UHFFFAOYSA-N |