Basic information
- Standard SMILES
CC(C)N1CCC(NC(=O)c2nc3c(C(=O)OCCO)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1- InChIKey
HBCVCIQWVHKFPM-UHFFFAOYSA-N- Molecular formula
- C27H30ClN5O5S
- Average molar mass
- 572.1 g/mol
Names & identifiers
- Preferred name
- 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid 2-hydroxy-ethyl ester
- IUPAC
- 2-hydroxyethyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylate
Names & synonyms
SCHEMBL1382240HBCVCIQWVHKFPM-UHFFFAOYSA-N1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid 2-hydroxy-ethyl ester
Database identifiers
- PubChem CID
- 67012776
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 849
Related reactions
2 records
Compound notes
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