Basic information
- Standard SMILES
O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(C(=O)N(CCN3CCOCC3)Cc3ccccc3)c2)c1- InChIKey
YDEYFZWBYHIHIP-UHFFFAOYSA-N- Molecular formula
- C46H47F3N6O4
- Average molar mass
- 804.9 g/mol
Names & identifiers
- Preferred name
- N1-benzyl-N1-(2-morpholinoethyl)-N3-(4-(piperidin-1-yl)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)isophthalamide
- IUPAC
- 3-N-benzyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide
Names & synonyms
N1-benzyl-N1-(2-morpholinoethyl)-N3-(4-(piperidin-1-yl)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)isophthalamideSCHEMBL10290666
Database identifiers
- PubChem CID
- 68097155
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,340
Related reactions
2 records
Compound notes
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