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Basic information
- Standard SMILES
COC(=O)CC1CCC(CN2CCCC(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(C)no3)c3cc(C)c(C(F)(F)F)cc32)CC1- InChIKey
SZESGYMIZWMYDX-UHFFFAOYSA-N- Molecular formula
- C35H38F9N3O3
- Average molar mass
- 719.7 g/mol
- Monoisotopic mass
- 719.27694554
Names & identifiers
- Preferred name
- (4-(5-[(3,5-Bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl ester
- IUPAC
- methyl 2-[4-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(3-methyl-1,2-oxazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]acetate
Names & synonyms
(4-(5-[(3,5-bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl ester(4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl esterSCHEMBL1382498
Database identifiers
- PubChem CID
- 11664840
Properties
Computed structural propertiesFilling in
- XLogP
- 9.8
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
3 records
Compound notes
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