Basic information
- Standard SMILES
COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1- InChIKey
HQOMUDZMZFTCPL-UHFFFAOYSA-N- Molecular formula
- C23H20ClN3O2
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1244046
Names & identifiers
- Preferred name
- [5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5-methoxy-1H-indol-2-yl)methanone
- IUPAC
- [5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5-methoxy-1H-indol-2-yl)methanone
Names & synonyms
NSC693541CHEMBL116575SCHEMBL6204595HQOMUDZMZFTCPL-UHFFFAOYSA-NNSC-693541[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5-methoxy-1H-indol-2-yl)methanoneNCI60_0334895-amino-1-(chloromethyl)-3-[(5-methoxyindol-2-yl)carbonyl]-1,2-dihydro-3H-benz[e]indole1-(Chloromethyl)-3-((5-methoxy-1H-indol-2-yl)carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-amine1-(Chloromethyl)-3-((5-methoxy-1H-indol-2-yl)carbonyl)-2,3-dihydro-1H-benzo[e]indol-5-ylamine
Database identifiers
- PubChem CID
- 392735
- ChEMBL
CHEMBL116575- Nikkaji
- J1.175.301I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 619
Related reactions
1 records
Compound notes
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