Bas 02841815
Basic information
- CAS
5860-86-6- Standard SMILES
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1coc2ccc(C)cc2c1=O- InChIKey
MPSUHUXDFJLAPF-UHFFFAOYSA-N- Molecular formula
- C25H27NO6
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.18383758
Names & identifiers
- Preferred name
- Bas 02841815
- IUPAC
- 2-ethoxyethyl 2-methyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
BAS 028418155860-86-6DTXSID40389765RefChem:320938DTXCID10340626SR-01000356665CBMicro_0352312-ethoxyethyl 2-methyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate2-Ethoxyethyl 2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateMFCD02104435STK056248AKOS000580576
Show more names
AKOS021994581CCG-108641BIM-0035377.P001ZINC000019831190ZINC000019831191SR-01000356665-1SR-01000356665-2CCOCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CCC2
Database identifiers
- CAS
5860-86-6- PubChem CID
- 3143554
- DTXSID
DTXSID40389765
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 898
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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