Basic information
- Standard SMILES
COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C)c(-c2cn(C)c3ccccc23)n1- InChIKey
WKGLUUJYFZUFJW-UHFFFAOYSA-N- Molecular formula
- C26H31N7O3
- Average molar mass
- 489.6 g/mol
Names & identifiers
- Preferred name
- N'-(2-Dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
- IUPAC
- 4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
Names & synonyms
SCHEMBL14719107WKGLUUJYFZUFJW-UHFFFAOYSA-NN'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methy-lindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamineN'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methyl-indol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamineN'-(2-Dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
Database identifiers
- PubChem CID
- 71270206
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 722
Related reactions
2 records
Compound notes
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