Basic information
- Standard SMILES
COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1NC(=O)C(F)(F)F- InChIKey
RMEUSCOSQGYNIC-UHFFFAOYSA-N- Molecular formula
- C36H41F3N6O8
- Average molar mass
- 742.7 g/mol
Names & identifiers
- Preferred name
- 3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]-4-(3-nitro-2-trifluoroacetylaminobenzoyl)aminobenzamide
- IUPAC
- N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-3-nitro-2-[(2,2,2-trifluoroacetyl)amino]benzamide
Names & synonyms
3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]-4-(3-nitro-2-trifluoroacetylaminobenzoyl)aminobenzamideSCHEMBL7966842
Database identifiers
- PubChem CID
- 18355299
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
1 records
Compound notes
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