tert-butyl 1-(chloromethyl)-7-cyano-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(CCl)c2c1ccc1cc(C#N)ccc21- InChIKey
HAUGXYNAHCYBKQ-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O2
- Average molar mass
- 342.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl 1-(chloromethyl)-7-cyano-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
- IUPAC
- tert-butyl 1-(chloromethyl)-7-cyano-1,2-dihydrobenzo[e]indole-3-carboxylate
Names & synonyms
SCHEMBL3569852HAUGXYNAHCYBKQ-UHFFFAOYSA-Ntert-butyl 1-(chloromethyl)-7-cyano-1,2-dihydro-3H-benzo[e]indole-3-carboxylate
Database identifiers
- PubChem CID
- 44550490
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 535
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Related reactions
3 records
Compound notes
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