AC1MXBFB
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: Bionet1_004843|HMS582O05|KS-00003GHF|9R-0326|2-[2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione|4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4,7,7a-tetrahydro-|4-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione|2-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione|4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-10-oxa-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione
| Molecular Formula | C16H13ClF3N3O3 |
|---|---|
| Molecular Weight | 387.05975 g/mol |
| LogP | 2.1041 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.05975 |
| Monoisotopic Mass | 387.05975 |
| Heavy Atoms | 26 |
| Complexity | 783.6651 |
Chemical Identifiers
| CAS Number | 1005035-64-2 |
|---|---|
| SMILES | C1=CC2C3C(C1O2)C(=O)N(C3=O)CCNC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
AC1MXBFB (CAS 1005035-64-2), with molecular formula C16H13ClF3N3O3 and molecular weight 387.05975 g/mol. IUPAC: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione.