1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1758 |
| Compound Name: | 1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 515.55 |
| Molecular Formula: | C22 H28 F3 N5 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCC(CCNC(CC1)=O)C(NCc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2586 |
| logD: | 0.2586 |
| logSw: | -2.3189 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.129 |
| InChI Key: | HJDYSLDFFUDTGS-UHFFFAOYSA-N |