Basic information
- Standard SMILES
CC(=O)N1c2ccc(-c3csc(C=O)n3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C- InChIKey
LGQPZEBZABFSFF-BLLLJJGKSA-N- Molecular formula
- C20H23N3O4S
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.1409274
Names & identifiers
- Preferred name
- 1-Methylethyl [(cis)-1-acetyl-6-(2-formyl-1,3-thiazol-4-yl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]carbamate
- IUPAC
- propan-2-yl N-[(2S,4R)-1-acetyl-6-(2-formyl-1,3-thiazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
Names & synonyms
LGQPZEBZABFSFF-BLLLJJGKSA-N1-methylethyl [(cis)-1-acetyl-6-(2-formyl-1,3-thiazol-4-yl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]carbamate1-Methylethyl[(cis)-1-acetyl-6-(2-formyl-1,3-thiazol-4-yl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]carbamate
Database identifiers
- PubChem CID
- 86669232
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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