KS-00003EOK
10-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxylic acid
Also Known As: KS-00003EOK|8L-943|10-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0~2,6~.0~8,12~]tridec-4-ene-5-carboxylic acid|10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylic acid|10-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxylic acid|10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID|10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0(2),?.0?,(1)(2)]tridec-4-ene-5-carboxylic acid|10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylicacid
| Molecular Formula | C19H16ClF3N4O5 |
|---|---|
| Molecular Weight | 472.07614 g/mol |
| LogP | 1.8722 |
| Topological Polar Surface Area | 121.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.07614 |
| Monoisotopic Mass | 472.07614 |
| Heavy Atoms | 32 |
| Complexity | 1063.889 |
Chemical Identifiers
| CAS Number | 321998-80-5 |
|---|---|
| SMILES | C1C2C3C(C1C4C2C(=NO4)C(=O)O)C(=O)N(C3=O)CCNC5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
KS-00003EOK (CAS 321998-80-5), with molecular formula C19H16ClF3N4O5 and molecular weight 472.07614 g/mol. IUPAC: 10-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-5-carboxylic acid.