Basic information
- Standard SMILES
CC(C)(C)NC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1- InChIKey
YAYKJZBLFCZGCH-UHFFFAOYSA-N- Molecular formula
- C30H39BrClN5O2
- Average molar mass
- 617 g/mol
Names & identifiers
- Preferred name
- 4-[2-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperazinyl]-2-oxoethyl]-N-(1,1-dimethylethyl)-1-piperidinecarboxamide
- IUPAC
- 4-[2-[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
Names & synonyms
CHEMBL170652SCHEMBL6765463YAYKJZBLFCZGCH-UHFFFAOYSA-NBDBM500634344-[2-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperazinyl]-2-oxoethyl]-N-(1,1-dimethylethyl)-1-piperidinecarboxamide4-{2-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-piperazin-1-yl]-2-oxo-ethyl}-piperidine-1-carboxylic acid tert-butylamide
Database identifiers
- PubChem CID
- 22744657
- ChEMBL
CHEMBL170652
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 855
Related reactions
3 records
Compound notes
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