Basic information
- Standard SMILES
Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)Cc3ccccc32)ccc1CCCC(=O)N1CCN(CCC(C)(C)C)CC1- InChIKey
UWKKFLPWXKCUPL-UHFFFAOYSA-N- Molecular formula
- C36H52N4O4
- Average molar mass
- 604.8 g/mol
- Monoisotopic mass
- 604.39885615
Names & identifiers
- Preferred name
- 1-(4-{4-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-oxo-butyl}-3-methyl-benzoyl)-1,2,3,5-tetrahydro-benzo[e][1,4]diazepine-4-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 1-[4-[4-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-oxobutyl]-3-methylbenzoyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate
Names & synonyms
SCHEMBL2129809UWKKFLPWXKCUPL-UHFFFAOYSA-N1-(4-{4-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-oxo-butyl}-3-methyl-benzoyl)-1,2,3,5-tetrahydro-benzo[e][1,4]diazepine-4-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57555374
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 964
Related reactions
2 records
Compound notes
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