ethyl 3-[[1-methyl-2-[[N-methyl-4-(N-octoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

HCID 140409596
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCOC(=O)NC(=N)c1ccc(N(C)Cc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1
InChIKey
JRQGZGMXDDIAOA-UHFFFAOYSA-N
Molecular formula
C37H47N7O5
Average molar mass
669.8 g/mol

Names & identifiers

Preferred name
ethyl 3-[[1-methyl-2-[[N-methyl-4-(N-octoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
IUPAC
ethyl 3-[[1-methyl-2-[[N-methyl-4-(N-octoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Names & synonyms

SCHEMBL6785242

Database identifiers

PubChem CID
140409596

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
143 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
20
Heavy atoms
49

Related reactions

5 records
New reaction record

Linked notes

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