N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061094 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 473.52 |
| Molecular Formula: | C24 H22 F3 N3 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc3C(N(C(Nc3c2)=S)c2cccc(c2)C(F)(F)F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6452 |
| logD: | 4.6426 |
| logSw: | -4.7315 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.153 |
| InChI Key: | VXGGXIRHAZMZON-UHFFFAOYSA-N |