N-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-chloro-4-fluorophenyl)-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061886 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(3,4-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(cc1OC)N1C(c2ccc(cc2NC1=S)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2066 |
| logD: | 3.8817 |
| logSw: | -4.6048 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.059 |
| InChI Key: | URXCDTWCKDVSGQ-UHFFFAOYSA-N |