Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)N4CCS(=O)(=O)CC4)cc3c2)CC1- InChIKey
RSRXZGNNDQLCJA-UHFFFAOYSA-N- Molecular formula
- C24H32N4O6S
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- 4-[2-(1,1-Dioxo-thiomorpholine-4-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1H-indole-5-carbonyl]-1,4-diazepane-1-carboxylate
Names & synonyms
SCHEMBL3539968RSRXZGNNDQLCJA-UHFFFAOYSA-N4-[2-(1,1-Dioxo-thiomorpholine-4-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68682181
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 913
Related reactions
3 records
Compound notes
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