4-(methanesulfonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepane
Chemical Structure Depiction of
4-(methanesulfonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepane
4-(methanesulfonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepane
Compound characteristics
| Compound ID: | S990-0429 |
| Compound Name: | 4-(methanesulfonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1,4-diazepane |
| Molecular Weight: | 418.44 |
| Molecular Formula: | C17 H21 F3 N4 O3 S |
| Smiles: | Cc1nc(C2CCN(CCN2S(C)(=O)=O)Cc2ccc(cc2)C(F)(F)F)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.38 |
| logD: | 2.3738 |
| logSw: | -2.6358 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.346 |
| InChI Key: | ZMDWGPXPZCYRCI-HNNXBMFYSA-N |