Basic information
- Standard SMILES
COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc4ccccc4c3)NC(=O)OC(C)(C)C)C2)nc2ccc(Cl)cc21- InChIKey
ICSMMKNHOACBQC-UHFFFAOYSA-N- Molecular formula
- C35H43ClN4O4
- Average molar mass
- 619.2 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[4-[3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate
- IUPAC
- tert-butyl N-[4-[3-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-1-naphthalen-2-yl-4-oxobutan-2-yl]carbamate
Database identifiers
- PubChem CID
- 77190873
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 946
Related reactions
1 records
Compound notes
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