Basic information
- Standard SMILES
CN(C)C(=O)N1CCN(C(=O)c2cc3cc(C(=O)N4CCCN(C(=O)OC(C)(C)C)CC4)ccc3[nH]2)CC1- InChIKey
HMVLMKRQEOAEMF-UHFFFAOYSA-N- Molecular formula
- C27H38N6O5
- Average molar mass
- 526.6 g/mol
Names & identifiers
- Preferred name
- 4-[2-(4-Dimethylcarbamoyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-1H-indole-5-carbonyl]-1,4-diazepane-1-carboxylate
Names & synonyms
SCHEMBL3166069HMVLMKRQEOAEMF-UHFFFAOYSA-N4-[2-(4-Dimethylcarbamoyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68535601
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 897
Related reactions
2 records
Compound notes
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