Basic information
- Standard SMILES
COc1cccc(Cl)c1-c1cc2c(c3c1C(=O)NC3=O)c1cc(O)ccc1n2CCCN1C[C@@H](C)N[C@@H](C)C1- InChIKey
NDSDMXMQEXOXRA-CALCHBBNSA-N- Molecular formula
- C30H31ClN4O4
- Average molar mass
- 547 g/mol
Names & identifiers
- Preferred name
- 4-(2-Chloro-6-methoxyphenyl)-6-{3-[cis-3,5-dimethylpiperazinyl]propyl}-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
- IUPAC
- 4-(2-chloro-6-methoxyphenyl)-6-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]-9-hydroxypyrrolo[3,4-c]carbazole-1,3-dione
Names & synonyms
SCHEMBL5828958NDSDMXMQEXOXRA-CALCHBBNSA-N4-(2-Chloro-6-methoxyphenyl)-6-{3-[cis-3,5-dimethylpiperazinyl]propyl}-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
Database identifiers
- PubChem CID
- 69583906
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 913
Related reactions
1 records
Compound notes
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