N- [2- chloro- 5- (trifluoromethyl) phenyl] - N'- [[2- (4- morpholinyl) - 3- pyridinyl] methyl] -Urea - CAS 1211298-93-9
Catalog: |
BB070715 |
Product Name: |
N- [2- chloro- 5- (trifluoromethyl) phenyl] - N'- [[2- (4- morpholinyl) - 3- pyridinyl] methyl] -Urea |
CAS: |
1211298-93-9 |
Synonyms: |
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]urea; 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-{[2-(morpholin-4-yl)pyridin-3-yl]methyl}urea; N-[2-Chloro-5-(trifluoromethyl)phenyl]-N'-[[2-(4-morpholinyl)-3-pyridinyl]methyl]urea |
IUPAC Name: | 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-morpholin-4-ylpyridin-3-yl)methyl]urea |
Molecular Weight: | 414.81 |
Molecular Formula: | C18H18ClF3N4O2 |
Canonical SMILES: | C1COCCN1C2=C(C=CC=N2)CNC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
InChI: | InChI=1S/C18H18ClF3N4O2/c19-14-4-3-13(18(20,21)22)10-15(14)25-17(27)24-11-12-2-1-5-23-16(12)26-6-8-28-9-7-26/h1-5,10H,6-9,11H2,(H2,24,25,27) |
InChI Key: | JJHCGBJJVJDFIZ-UHFFFAOYSA-N |
Complexity: | 520 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 414.107038 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 414.107038 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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