4-[2-(1,1-Dioxo-thiomorpholine-4-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HCID 68682181

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

Related reactions

3 records

Compound notes

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