Basic information
- Standard SMILES
CCN[C@@H]1CN(c2nc(C)c(C(=O)OCC)s2)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1- InChIKey
KVSKDGOWFITHOO-ZIAGYGMSSA-N- Molecular formula
- C20H29ClN6O3S
- Average molar mass
- 469 g/mol
- Monoisotopic mass
- 468.1710377
Names & identifiers
- Preferred name
- Ethyl trans(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(ethylamino)piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[(3R,4R)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(ethylamino)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Names & synonyms
KVSKDGOWFITHOO-ZIAGYGMSSA-NEthyl trans(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(ethylamino)piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Database identifiers
- PubChem CID
- 86648799
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 632
Related reactions
2 records
Compound notes
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