Basic information
- Standard SMILES
CCOC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CNC(C)C2- InChIKey
OXPSAOLFGOLMAP-UHFFFAOYSA-N- Molecular formula
- C25H27ClN4O5S2
- Average molar mass
- 563.1 g/mol
Names & identifiers
- Preferred name
- 4-[(6-Chloronaphthalen-2-yl)sulfonyl]-2-(ethoxycarbonyl)-1-[(6-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine
- IUPAC
- ethyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxylate
Names & synonyms
SCHEMBL6728832OXPSAOLFGOLMAP-UHFFFAOYSA-N4-[(6-Chloronaphthalen-2-yl)sulfonyl]-2-(ethoxycarbonyl)-1-[(6-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine
Database identifiers
- PubChem CID
- 22710002
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 965
Related reactions
4 records
Compound notes
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