benzyl-{2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl}-(4-Pyridin-3-yl-Butyl)amine
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Basic information
- Standard SMILES
Cc1cc(C)cc(-c2[nH]c3ccc(N=C=O)cc3c2CCN(CCCCc2cccnc2)Cc2ccccc2)c1- InChIKey
QZJVLGJQPBLTDC-UHFFFAOYSA-N- Molecular formula
- C35H36N4O
- Average molar mass
- 528.7 g/mol
Names & identifiers
- Preferred name
- benzyl-{2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl}-(4-Pyridin-3-yl-Butyl)amine
- IUPAC
- N-benzyl-N-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]-4-pyridin-3-ylbutan-1-amine
Names & synonyms
SCHEMBL6983188QZJVLGJQPBLTDC-UHFFFAOYSA-NBenzyl-{2-[2-(3,5-dimethylphenyl)-5-isocvanato-1H-indol-3-yl]ethyl}-(4-pyridin-3-yl-butyl)aminebenzyl-{2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl } -(4-pyridin-3-yl-butyl)aminebenzyl-{2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl}-(4-Pyridin-3-yl-Butyl)amine
Database identifiers
- PubChem CID
- 21249908
Properties
Computed structural propertiesFilling in
- XLogP
- 8.6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 782
Related reactions
4 records
Compound notes
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