Basic information
- Standard SMILES
CC(C)n1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21- InChIKey
JZXQSXWFWRCXOS-UHFFFAOYSA-N- Molecular formula
- C28H41N5O6S
- Average molar mass
- 575.7 g/mol
- Monoisotopic mass
- 575.27775522
Names & identifiers
- Preferred name
- 4-[1-Isopropyl-2-(4-methanesulfonyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-(4-methylsulfonylpiperazine-1-carbonyl)-1-propan-2-ylindole-5-carbonyl]-1,4-diazepane-1-carboxylate
Names & synonyms
SCHEMBL3160554JZXQSXWFWRCXOS-UHFFFAOYSA-N4-[1-Isopropyl-2-(4-methanesulfonyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68534006
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
Loading…