N-(4-fluorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
N-(4-fluorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Compound characteristics
| Compound ID: | V026-0648 |
| Compound Name: | N-(4-fluorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C22 H22 F4 N4 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCC12NCC(N2Cc1cccc(c1)C(F)(F)F)=O)C(Nc1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.9431 |
| logD: | 3.5026 |
| logSw: | -4.1504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.084 |
| InChI Key: | WTQXHZVCGGXDAZ-UHFFFAOYSA-N |