Basic information
- Standard SMILES
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3cc(S(=O)(=O)NCCO)ccc43)[nH]c2c(OC)c1OC- InChIKey
RJLBITIFTMTFDJ-UHFFFAOYSA-N- Molecular formula
- C27H27ClN4O9S
- Average molar mass
- 619 g/mol
- Monoisotopic mass
- 618.1187273
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-N-(2-hydroxyethyl)-5-nitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole-7-sulfonamide
- IUPAC
- 1-(chloromethyl)-N-(2-hydroxyethyl)-5-nitro-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indole-7-sulfonamide
Names & synonyms
SCHEMBL3561177CHEMBL1834936RJLBITIFTMTFDJ-UHFFFAOYSA-N1-(Chloromethyl)-N-(2-hydroxyethyl)-5-nitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole-7-sulfonamide
Database identifiers
- PubChem CID
- 11520102
- ChEMBL
CHEMBL1834936
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
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