trans-1-(4-acetoxy-2-(6-(4-methanesulfonyl-phenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl)-pyrrolidin-1-yl)-ethanone

HCID 67483003
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Basic information

Standard SMILES
CC(=O)O[C@H]1C[C@H](c2cc3[nH]c(-c4ccccn4)nc3cc2Oc2ccc(S(C)(=O)=O)cc2)N(C(C)=O)C1
InChIKey
DUHQKUPVSMOEOF-UQBPGWFLSA-N
Molecular formula
C27H26N4O6S
Average molar mass
534.6 g/mol

Names & identifiers

Preferred name
trans-1-(4-acetoxy-2-(6-(4-methanesulfonyl-phenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl)-pyrrolidin-1-yl)-ethanone
IUPAC
[(3S,5R)-1-acetyl-5-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-3-yl] acetate

Names & synonyms

SCHEMBL2645949DUHQKUPVSMOEOF-UQBPGWFLSA-Ntrans-1-(4-acetoxy-2-(6-(4-methanesulfonyl-phenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl)-pyrrolidin-1-yl)-ethanone

Database identifiers

PubChem CID
67483003

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
140 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
38

Related reactions

2 records
New reaction record

Linked notes

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