Basic information
- Standard SMILES
CC(C)n1c(C(=O)N2CCN(C(=O)N(C)C)CC2)cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21- InChIKey
XCPDIYGKJUQMAN-UHFFFAOYSA-N- Molecular formula
- C30H44N6O5
- Average molar mass
- 568.7 g/mol
Names & identifiers
- Preferred name
- 4-[2-(4-Dimethylcarbamoyl-piperazine-1-carbonyl)-1-isopropyl-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-1-propan-2-ylindole-5-carbonyl]-1,4-diazepane-1-carboxylate
Names & synonyms
SCHEMBL3169780XCPDIYGKJUQMAN-UHFFFAOYSA-N4-[2-(4-Dimethylcarbamoyl-piperazine-1-carbonyl)-1-isopropyl-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68536621
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 973
Related reactions
2 records
Compound notes
Loading…