Basic information
- Standard SMILES
CCCCCN[C@@H]1CN(c2nc3cccc(C(=O)OCC)c3s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1- InChIKey
CDBCKIBGXRTEEC-AZUAARDMSA-N- Molecular formula
- C26H35ClN6O3S
- Average molar mass
- 547.1 g/mol
Names & identifiers
- Preferred name
- Ethyl cis(+/-)-2-[4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(pentylamino)piperidin-1-yl]-1,3-benzothiazole-7-carboxylate
- IUPAC
- ethyl 2-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-(pentylamino)piperidin-1-yl]-1,3-benzothiazole-7-carboxylate
Names & synonyms
CDBCKIBGXRTEEC-AZUAARDMSA-NEthyl cis(+/-)-2-[4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(pentylamino)piperidin-1-yl]-1,3-benzothiazole-7-carboxylate
Database identifiers
- PubChem CID
- 86648562
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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