Basic information
- Standard SMILES
COC(=O)N1c2ccc(-c3csc(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c(OC3CCC3)c2CC[C@@H]1C- InChIKey
KGBRLLMFEBJIJA-SFHVURJKSA-N- Molecular formula
- C28H38N4O5S
- Average molar mass
- 542.7 g/mol
Names & identifiers
- Preferred name
- (S)-methyl 6-(2-(4-(tert-butoxycarbonyl)piperazin-1-yl)thiazol-4-yl)-5-cyclobutoxy-2-methyl-3,4-dihydroquinoline-1(2H)-carboxylate
- IUPAC
- methyl (2S)-5-cyclobutyloxy-2-methyl-6-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxylate
Names & synonyms
SCHEMBL16717328KGBRLLMFEBJIJA-SFHVURJKSA-N(S)-methyl 6-(2-(4-(tert-butoxycarbonyl)piperazin-1-yl)thiazol-4-yl)-5-cyclobutoxy-2-methyl-3,4-dihydroquinoline-1(2H)-carboxylate
Database identifiers
- PubChem CID
- 118075813
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 844
Related reactions
1 records
Compound notes
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