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

HCID 68536747

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)N4CCN(S(C)(=O)=O)CC4)cc3c2)CC1
InChIKey
PDJWFGJUFSIUFJ-UHFFFAOYSA-N
Molecular formula
C25H35N5O6S
Average molar mass
533.6 g/mol
Monoisotopic mass
533.23080503

Names & identifiers

Preferred name
4-[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)-1H-indole-5-carbonyl]-1,4-diazepane-1-carboxylate

Names & synonyms

SCHEMBL3170208PDJWFGJUFSIUFJ-UHFFFAOYSA-N4-[2-(4-methanesulfonyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
68536747

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
132 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
37

Related reactions

4 records

Compound notes

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