Basic information
- Standard SMILES
Cc1cc(NCCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1C(=O)OC(C)(C)C- InChIKey
KPWMLMAZJIRVJM-UHFFFAOYSA-N- Molecular formula
- C39H52N4O5
- Average molar mass
- 656.9 g/mol
- Monoisotopic mass
- 656.39377077
Names & identifiers
- Preferred name
- tert-Butyl 4-({6-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-6-oxohexyl}amino)-2-methylbenzoate
- IUPAC
- tert-butyl 2-methyl-4-[[6-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]amino]-6-oxohexyl]amino]benzoate
Names & synonyms
KPWMLMAZJIRVJM-UHFFFAOYSA-Ntert-Butyl 4-({6-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-6-oxohexyl}amino)-2-methylbenzoate
Database identifiers
- PubChem CID
- 86761900
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 987
Related reactions
2 records
Compound notes
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