Basic information
- CAS
240433-82-3- Standard SMILES
COCCN(CCOC)c1cc(NC(C)=O)c(-n2nc3ccc(N)c(Cl)c3n2)cc1OC- InChIKey
ZYXGXCVACCEOKX-UHFFFAOYSA-N- Molecular formula
- C21H27ClN6O4
- Average molar mass
- 462.9 g/mol
- Monoisotopic mass
- 462.1782311
Names & identifiers
- Preferred name
- Acetamide, N-(2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-(bis(2-methoxyethyl)amino)-4-methoxyphenyl)-
- IUPAC
- N-[2-(5-amino-4-chlorobenzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl]acetamide
Names & synonyms
240433-82-3Acetamide, N-(2-(5-amino-4-chloro-2H-benzotriazol-2-yl)-5-(bis(2-methoxyethyl)amino)-4-methoxyphenyl)-SCHEMBL29822239DTXSID80178791N-{2-(5-Amino-4-chloro-2H-1,2,3-benzotriazol-2-yl)-5-[bis(2-methoxyethyl)amino]-4-methoxyphenyl}acetamide
Database identifiers
- CAS
240433-82-3- PubChem CID
- 154261
- DTXSID
DTXSID80178791- Nikkaji
- J1.113.361D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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