AC1NCV8S
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid
Also Known As: KS-00003NLE|2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid|2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid|2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl}cyclopropane-1-carboxylic acid|2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]cyclopropanecarboxylic acid|2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl}cyclopropane-1-carboxylicacid
| Molecular Formula | C16H17ClF3N3O3 |
|---|---|
| Molecular Weight | 391.09106 g/mol |
| LogP | 2.5132 |
| Topological Polar Surface Area | 73.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.09106 |
| Monoisotopic Mass | 391.09106 |
| Heavy Atoms | 26 |
| Complexity | 728.4269 |
Chemical Identifiers
| CAS Number | 1024151-62-9 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)C2CC2C(=O)O)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
AC1NCV8S (CAS 1024151-62-9), with molecular formula C16H17ClF3N3O3 and molecular weight 391.09106 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid.