Basic information
- Standard SMILES
COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(-c4ccccc4)cc3)NC(=O)OC(C)(C)C)C2)nc2cccc(Cl)c21- InChIKey
NYURRQLCPIXQQG-UHFFFAOYSA-N- Molecular formula
- C37H45ClN4O4
- Average molar mass
- 645.2 g/mol
- Monoisotopic mass
- 644.3129336
Names & identifiers
- Preferred name
- tert-butyl N-[4-[3-[7-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-oxo-1-(4-phenylphenyl)butan-2-yl]carbamate
- IUPAC
- tert-butyl N-[4-[3-[7-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-oxo-1-(4-phenylphenyl)butan-2-yl]carbamate
Database identifiers
- PubChem CID
- 77190872
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 964
Related reactions
1 records
Compound notes
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