N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061373 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 469.91 |
| Molecular Formula: | C21 H19 Cl F3 N3 O2 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3262 |
| logD: | 5.6503 |
| logSw: | -6.1362 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.659 |
| InChI Key: | JAQYVAMGKUFWCC-UHFFFAOYSA-N |