Basic information
- Standard SMILES
CC(=O)N1c2ccc(-c3csc(CN4CCCCC4)n3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C- InChIKey
SPCUJOPCPJUTED-LAUBAEHRSA-N- Molecular formula
- C25H34N4O3S
- Average molar mass
- 470.6 g/mol
Names & identifiers
- Preferred name
- 1-Methylethyl {(cis)-1-acetyl-2-methyl-6-[2-(1-piperidinylmethyl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydro-4-quinolinyl}carbamate
- IUPAC
- propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
Names & synonyms
SPCUJOPCPJUTED-LAUBAEHRSA-N1-methylethyl {(cis)-1-acetyl-2-methyl-6-[2-(1-piperidinylmethyl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydro-4-quinolinyl}carbamate
Database identifiers
- PubChem CID
- 86669263
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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