Methyl 2-[[[[(6-ethoxy-1,2-dihydro-2-oxo-3-quinolinyl)methyl](2-hydroxyethyl)amino]thioxomethyl]amino]benzoate
Basic information
- CAS
486437-60-9- Standard SMILES
CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3C(=O)OC)cc2c1- InChIKey
HXUWXQOJMNGVGI-UHFFFAOYSA-N- Molecular formula
- C23H25N3O5S
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.15149208
Names & identifiers
- Preferred name
- Methyl 2-[[[[(6-ethoxy-1,2-dihydro-2-oxo-3-quinolinyl)methyl](2-hydroxyethyl)amino]thioxomethyl]amino]benzoate
- IUPAC
- methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate
Names & synonyms
DTXSID401108390AKOS000691638486437-60-9Methyl 2-[[[[(6-ethoxy-1,2-dihydro-2-oxo-3-quinolinyl)methyl](2-hydroxyethyl)amino]thioxomethyl]amino]benzoateST50351399METHYL 2-({[(6-ETHOXY-2-OXO-1H-QUINOLIN-3-YL)METHYL](2-HYDROXYETHYL)CARBAMOTHIOYL}AMINO)BENZOATE
Database identifiers
- CAS
486437-60-9- PubChem CID
- 1142005
- DTXSID
DTXSID401108390
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…