Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CCC(=O)N(C)[C@H](C)c4ccccc4)cc3)cc2)CC1- InChIKey
VDPZXQIMNSUZRT-XMMPIXPASA-N- Molecular formula
- C34H36N2O4
- Average molar mass
- 536.7 g/mol
Names & identifiers
- Preferred name
- 1-[4'-(3-Methyl-4-{2-[methyl-((R)-1-phenyl-ethyl)-carbamoyl]-ethyl}-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[3-methyl-4-[3-[methyl-[(1R)-1-phenylethyl]amino]-3-oxopropyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL4428VDPZXQIMNSUZRT-XMMPIXPASA-N1-[4'-(3-Methyl-4-{2-[methyl-((R)-1-phenyl-ethyl)-carbamoyl]-ethyl}-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66577689
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 837
Related reactions
1 records
Compound notes
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