(2S)-2-amino-N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]butanamide
Basic information
- Standard SMILES
CC[C@H](N)C(=O)NCc1cc(Cl)ccc1-n1cnnn1- InChIKey
MBLBXUGNCZOAJU-JTQLQIEISA-N- Molecular formula
- C12H15ClN6O
- Average molar mass
- 294.74 g/mol
- Monoisotopic mass
- 294.0995868
Names & identifiers
- Preferred name
- (2S)-2-amino-N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]butanamide
- IUPAC
- (2S)-2-amino-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]butanamide
Names & synonyms
SCHEMBL6078556MBLBXUGNCZOAJU-JTQLQIEISA-N(2S)-2-amino-N-[5-chloro-2-(1H-tetraazol-1-yl)benzyl]butanamide
Database identifiers
- PubChem CID
- 69656202
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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