Basic information
- Standard SMILES
CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](N(C)C)C2)nc1C- InChIKey
PESTZLKDIJPHMB-UONOGXRCSA-N- Molecular formula
- C20H29ClN6O3S
- Average molar mass
- 469 g/mol
Names & identifiers
- Preferred name
- Ethyl cis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(dimethylamino)piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(dimethylamino)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Names & synonyms
PESTZLKDIJPHMB-UONOGXRCSA-NEthyl cis(+/-)-2-(4-{[(4-Chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(dimethylamino)piperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Database identifiers
- PubChem CID
- 86648778
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 644
Related reactions
2 records
Compound notes
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