Basic information
- Standard SMILES
Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)O)ccc(C#N)c1Cl- InChIKey
BAGRMKWCDFLSRQ-SFHVURJKSA-N- Molecular formula
- C21H18ClN5O2
- Average molar mass
- 407.9 g/mol
Names & identifiers
- Preferred name
- (R)-2-chloro-4-(1-(5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxy-2-methylpropylamino)-3-methylbenzonitrile
- IUPAC
- 2-chloro-4-[[(1R)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxy-2-methylpropyl]amino]-3-methylbenzonitrile
Names & synonyms
SCHEMBL222569BAGRMKWCDFLSRQ-SFHVURJKSA-N(R)-2-chloro-4-(1-(5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxy-2-methylpropylamino)-3-methylbenzonitrile
Database identifiers
- PubChem CID
- 56598016
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
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