Basic information
- Standard SMILES
CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCCNc1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
OATYLTOYBGDRDZ-UHFFFAOYSA-N- Molecular formula
- C39H52N4O5
- Average molar mass
- 656.9 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-({7-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-7-oxoheptyl}amino)benzoate
- IUPAC
- tert-butyl 4-[[7-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]-7-oxoheptyl]amino]benzoate
Names & synonyms
OATYLTOYBGDRDZ-UHFFFAOYSA-Ntert-Butyl 4-({7-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-7-oxoheptyl}amino)benzoate
Database identifiers
- PubChem CID
- 123736591
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 964
Related reactions
1 records
Compound notes
Loading…