3-[2-(cyclohex-1-en-1-yl)ethyl]-7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0942 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 557.63 |
| Molecular Formula: | C29 H30 F3 N3 O3 S |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3NC2=S)C(N2CCC(CC2)(c2cccc(c2)C(F)(F)F)O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.7645 |
| logD: | 4.7639 |
| logSw: | -4.6289 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.971 |
| InChI Key: | GBVQNXIVZOQKTD-UHFFFAOYSA-N |