Basic information
- Standard SMILES
COc1ccc2c3c(c(NCCN(C)CCCN(C)CCNc4nc5c(C)c(OC)ccc5c5c4C(=O)c4ccnc(Cl)c4-5)nc2c1C)C(=O)c1ccnc(Cl)c1-3- InChIKey
DSKITSWCFCKBKL-UHFFFAOYSA-N- Molecular formula
- C43H42Cl2N8O4
- Average molar mass
- 805.7 g/mol
Names & identifiers
- Preferred name
- 11-chloro-6-{2-[(3-{[2-(11-chloro-3-methoxy-4-methyl-7-oxo-7H-5,10-diaza-benzo[c]fluoren-6-ylamino)-ethyl]-methyl-amino}-propyl)-methylamino]-ethylamino}-3-methoxy-4-methyl-5,10-diaza-benzo[c]fluoren-7-one
- IUPAC
- 16-chloro-9-[2-[3-[2-[(16-chloro-5-methoxy-6-methyl-11-oxo-8,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,5,7,9,12(17),13,15-octaen-9-yl)amino]ethyl-methylamino]propyl-methylamino]ethylamino]-5-methoxy-6-methyl-8,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,5,7,9,12(17),13,15-octaen-11-one
Names & synonyms
SCHEMBL6475348DSKITSWCFCKBKL-UHFFFAOYSA-N11-chloro-6-{2-[(3-{[2-(11-chloro-3-methoxy-4-methyl-7-oxo-7H-5,10-diaza-benzo[c]fluoren-6-ylamino)-ethyl]-methyl-amino}-propyl)-methylamino]-ethylamino}-3-methoxy-4-methyl-5,10-diaza-benzo[c]fluoren-7-one
Database identifiers
- PubChem CID
- 10440385
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
1 records
Compound notes
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