N-(3-chloro-4-methoxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-chloro-4-methoxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061981 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 540.35 |
| Molecular Formula: | C23 H14 Cl2 F3 N3 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7086 |
| logD: | 5.6259 |
| logSw: | -6.0068 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.127 |
| InChI Key: | KLCVEWYGUVUNRP-UHFFFAOYSA-N |