Basic information
- Standard SMILES
CCOC(=O)C=C(CN[C@@H](C[C@H](C)OCC)C(=O)Nc1ccn(CC(C)(C)O)n1)Oc1cccc(Cl)c1Cl- InChIKey
FWTVCLCTYIVDSR-PXNSSMCTSA-N- Molecular formula
- C26H36Cl2N4O6
- Average molar mass
- 571.5 g/mol
Names & identifiers
- Preferred name
- 3-(2,3-dichloro-phenoxy)-4-{(1S,3S)-3-ethoxy-1-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-ylcarbamoyl]-butylamino}-but-2-enoic acid ethyl ester
- IUPAC
- ethyl 3-(2,3-dichlorophenoxy)-4-[[(2S,4S)-4-ethoxy-1-[[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]amino]-1-oxopentan-2-yl]amino]but-2-enoate
Names & synonyms
SCHEMBL2700718FWTVCLCTYIVDSR-PXNSSMCTSA-N3-(2,3-dichloro-phenoxy)-4-{(1S,3S)-3-ethoxy-1-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-ylcarbamoyl]-butylamino}-but-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 67504248
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 787
Related reactions
2 records
Compound notes
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