Basic information
- Standard SMILES
Cc1noc(-c2ccc(C#CCn3ncc(C(=O)O)c3C(F)(F)F)cc2)c1NC(=O)OC(C)c1ccccc1Cl- InChIKey
QKACGRVXMXVMHP-UHFFFAOYSA-N- Molecular formula
- C27H20ClF3N4O5
- Average molar mass
- 572.9 g/mol
- Monoisotopic mass
- 572.1074319
Names & identifiers
- Preferred name
- 1-[3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-prop-2-ynyl]-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-[3-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]prop-2-ynyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Names & synonyms
1-[3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-prop-2-ynyl]-5-trifluoromethyl-1H-pyrazole-4-carboxylic acidSCHEMBL3147364
Database identifiers
- PubChem CID
- 46239885
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 967
Related reactions
2 records
Compound notes
Loading…