3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061966 |
| Compound Name: | 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 519.93 |
| Molecular Formula: | C24 H17 Cl F3 N3 O3 S |
| Smiles: | COc1ccc(CNC(c2ccc3C(N(C(Nc3c2)=S)c2cc(ccc2[Cl])C(F)(F)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8463 |
| logD: | 4.8258 |
| logSw: | -4.9122 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.363 |
| InChI Key: | XOCPGQJFASCOAN-UHFFFAOYSA-N |