Basic information
- CAS
5317-36-2- Standard SMILES
Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1- InChIKey
BLZGEPQJVBVKGC-UHFFFAOYSA-N- Molecular formula
- C28H30N6O3
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.23793884
Names & identifiers
- Preferred name
- N-{6-Methyl-2-[4-(propan-2-yl)phenyl]-2H-benzotriazol-5-yl}-3-nitro-4-(piperidin-1-yl)benzamide
- IUPAC
- N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide
Names & synonyms
5317-36-2DTXSID50409640N-{6-Methyl-2-[4-(propan-2-yl)phenyl]-2H-benzotriazol-5-yl}-3-nitro-4-(piperidin-1-yl)benzamideN-{6-Methyl-2-[4-(propan-2-yl)phenyl]-2H-1,2,3-benzotriazol-5-yl}-3-nitro-4-(piperidin-1-yl)benzamide
Database identifiers
- CAS
5317-36-2- PubChem CID
- 5202893
- DTXSID
DTXSID50409640
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 791
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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