N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Compound characteristics
| Compound ID: | V029-0683 |
| Compound Name: | N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide |
| Molecular Weight: | 482.95 |
| Molecular Formula: | C22 H22 Cl F3 N4 O S |
| Salt: | not_available |
| Smiles: | C1CN(CCC12NCC(N2Cc1cccc(c1)C(F)(F)F)=O)C(Nc1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 4.6676 |
| logD: | 4.2271 |
| logSw: | -4.8132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.084 |
| InChI Key: | NEDNPOSLMBIFGM-UHFFFAOYSA-N |