Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4cnn(C)c4NC(=O)OC(C)(C)C)cc3)cc2)CC1- InChIKey
VWXONJIJSAALHG-UHFFFAOYSA-N- Molecular formula
- C27H31N3O4
- Average molar mass
- 461.6 g/mol
- Monoisotopic mass
- 461.23145648
Names & identifiers
- Preferred name
- 1-[4'-(5-tert-Butoxycarbonylamino-1-methyl-1H-pyrazol-4-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL9904274VWXONJIJSAALHG-UHFFFAOYSA-N1-[4'-(5-tert-Butoxycarbonylamino-1-methyl-1H-pyrazol-4-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67959679
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 716
Related reactions
2 records
Compound notes
Loading…