2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-propan-2-yloxypiperidin-1-yl]-4-(2-methoxyethylcarbamoyl)-1,3-thiazole-5-carboxylic acid
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Basic information
- Standard SMILES
CCc1[nH]c(C(=O)NC2CCN(c3nc(C(=O)NCCOC)c(C(=O)O)s3)CC2OC(C)C)nc1Cl- InChIKey
SWLNMLWDIIRZIF-UHFFFAOYSA-N- Molecular formula
- C22H31ClN6O6S
- Average molar mass
- 543 g/mol
- Monoisotopic mass
- 542.1714316
Names & identifiers
- Preferred name
- 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-propan-2-yloxypiperidin-1-yl]-4-(2-methoxyethylcarbamoyl)-1,3-thiazole-5-carboxylic acid
- IUPAC
- 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-propan-2-yloxypiperidin-1-yl]-4-(2-methoxyethylcarbamoyl)-1,3-thiazole-5-carboxylic acid
Names & synonyms
SCHEMBL2848690
Database identifiers
- PubChem CID
- 68415482
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 781
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Related reactions
1 records
Compound notes
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