N-[2-(benzylsulfanyl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061851 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 515.58 |
| Molecular Formula: | C25 H20 F3 N3 O2 S2 |
| Smiles: | C(CSCc1ccccc1)NC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7997 |
| logD: | 4.797 |
| logSw: | -4.8695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.961 |
| InChI Key: | CRCYGAOOFKTXLM-UHFFFAOYSA-N |