Basic information
- Standard SMILES
CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](Cl)C2)nc1C- InChIKey
JQOZCSYBDBZMDM-PWSUYJOCSA-N- Molecular formula
- C18H23Cl2N5O3S
- Average molar mass
- 460.4 g/mol
Names & identifiers
- Preferred name
- Ethyl cis(+/-)-2-(3-chloro-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[(3R,4S)-3-chloro-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Names & synonyms
JQOZCSYBDBZMDM-PWSUYJOCSA-NEthyl cis(+/-)-2-(3-chloro-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Database identifiers
- PubChem CID
- 86648773
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 604
Related reactions
4 records
Compound notes
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