N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061803 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C23 H17 Cl F N3 O2 S |
| Smiles: | C(CNC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.042 |
| logD: | 4.0283 |
| logSw: | -4.5843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.961 |
| InChI Key: | NJLLWNCGHNEFIZ-UHFFFAOYSA-N |