1-(methanesulfonyl)-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(methanesulfonyl)-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
1-(methanesulfonyl)-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1364 |
| Compound Name: | 1-(methanesulfonyl)-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C19 H26 F3 N3 O4 S |
| Smiles: | CS(N1CCCC(CCNC(CC1)=O)C(NCc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4579 |
| logD: | 0.4579 |
| logSw: | -2.2991 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.481 |
| InChI Key: | MPGAKJCSSJOXNK-HNNXBMFYSA-N |