Basic information
- Standard SMILES
CC(C)C[C@@H](C(=O)Nc1ccn(CC(C)(C)O)n1)N1CC(Oc2cccc(Cl)c2Cl)=CC1=O.Cl- InChIKey
FASXDQGSPNAJKZ-LMOVPXPDSA-N- Molecular formula
- C23H29Cl3N4O4
- Average molar mass
- 531.9 g/mol
Names & identifiers
- Preferred name
- (S)-2-[4-(2,3-dichloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid [1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-amide hydrochloride
- IUPAC
- (2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-4-methylpentanamide;hydrochloride
Names & synonyms
SCHEMBL1079654FASXDQGSPNAJKZ-LMOVPXPDSA-N(S)-2-[4-(2,3-dichloro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid [1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-amide hydrochloride
Database identifiers
- PubChem CID
- 66899077
Properties
Computed structural properties
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 748
Related reactions
4 records
Compound notes
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