Basic information
- Standard SMILES
Cc1cc2c(cc1C(F)(F)F)N(Cc1ccc(C(=O)O)s1)CCCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1- InChIKey
NOFMZHKFQDYPSS-UHFFFAOYSA-N- Molecular formula
- C29H25F9N6O2S
- Average molar mass
- 692.6 g/mol
- Monoisotopic mass
- 692.16159869
Names & identifiers
- Preferred name
- 5-[[5-[[3,5-Bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]thiophene-2-carboxylic acid
- IUPAC
- 5-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]thiophene-2-carboxylic acid
Names & synonyms
SCHEMBL2472613
Database identifiers
- PubChem CID
- 73066441
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 7
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
1 records
Compound notes
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