N-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061155 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 524.35 |
| Molecular Formula: | C23 H14 Cl2 F3 N3 O2 S |
| Smiles: | C(c1ccccc1[Cl])NC(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6459 |
| logD: | 5.6255 |
| logSw: | -5.942 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.819 |
| InChI Key: | YEYVZDXNIIDZET-UHFFFAOYSA-N |