AC1NA5SE
10-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
Also Known As: KS-00003EOJ|8L-942|10-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-(1-pyrrolidinylcarbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-9,11-dione|10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-9,11-dione|10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
| Molecular Formula | C23H23ClF3N5O4 |
|---|---|
| Molecular Weight | 525.13904 g/mol |
| LogP | 2.41 |
| Topological Polar Surface Area | 104.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.13904 |
| Monoisotopic Mass | 525.13904 |
| Heavy Atoms | 36 |
| Complexity | 1170.8936 |
Chemical Identifiers
| CAS Number | 321998-79-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=NOC3C2C4CC3C5C4C(=O)N(C5=O)CCNC6=C(C=C(C=N6)C(F)(F)F)Cl |
Product Overview
AC1NA5SE (CAS 321998-79-2), with molecular formula C23H23ClF3N5O4 and molecular weight 525.13904 g/mol. IUPAC: 10-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione.
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