Basic information
- Standard SMILES
CCOC(=O)c1cccc2nc(N3CC[C@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@H](NCC4CC4)C3)sc12- InChIKey
TUMPJJNGRNMGHL-PKOBYXMFSA-N- Molecular formula
- C25H31ClN6O3S
- Average molar mass
- 531.1 g/mol
Names & identifiers
- Preferred name
- Ethyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(cyclopropylmethyl)amino]piperidin-1-yl)-1,3-benzothiazole-7-carboxylate
- IUPAC
- ethyl 2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(cyclopropylmethylamino)piperidin-1-yl]-1,3-benzothiazole-7-carboxylate
Names & synonyms
TUMPJJNGRNMGHL-PKOBYXMFSA-NEthyl cis(+/-)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-[(cyclopropylmethyl)amino]piperidin-1-yl)-1,3-benzothiazole-7-carboxylate
Database identifiers
- PubChem CID
- 86648561
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 791
Related reactions
2 records
Compound notes
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