N-(4-methoxyphenyl)-3-methyl-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-3-methyl-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
N-(4-methoxyphenyl)-3-methyl-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Compound characteristics
| Compound ID: | V029-0080 |
| Compound Name: | N-(4-methoxyphenyl)-3-methyl-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide |
| Molecular Weight: | 492.56 |
| Molecular Formula: | C24 H27 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC1C(N(Cc2cccc(c2)C(F)(F)F)C2(CCN(CC2)C(Nc2ccc(cc2)OC)=S)N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2773 |
| logD: | 4.1377 |
| logSw: | -4.3584 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.507 |
| InChI Key: | PGCRVRGGYCVTQI-MRXNPFEDSA-N |