N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061143 |
| Compound Name: | N-benzyl-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 489.9 |
| Molecular Formula: | C23 H15 Cl F3 N3 O2 S |
| Smiles: | C(c1ccccc1)NC(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8639 |
| logD: | 4.8435 |
| logSw: | -5.0653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.819 |
| InChI Key: | WEHXMCGUICIMHB-UHFFFAOYSA-N |