AC1NA5SE structure

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

CAS: 321998-79-2
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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