3-(3-chloro-4-fluorophenyl)-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061646 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 443.86 |
| Molecular Formula: | C21 H12 Cl F2 N3 O2 S |
| Smiles: | c1cc2C(N(C(Nc2cc1C(Nc1ccc(cc1)F)=O)=S)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4426 |
| logD: | 4.0983 |
| logSw: | -4.644 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.798 |
| InChI Key: | NAVIDZFPRDZUSL-UHFFFAOYSA-N |