Propan-2-yl 2-{[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
6348-47-6- Standard SMILES
COc1ccc(-c2nc3ccccc3c(C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCCC4)c2C)cc1- InChIKey
GFCCCPRZIWFWDT-UHFFFAOYSA-N- Molecular formula
- C30H30N2O4S
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.19262862
Names & identifiers
- Preferred name
- Propan-2-yl 2-{[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
6348-47-6DTXSID40409856AKOS003870046Propan-2-yl 2-{[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatePropan-2-yl 2-[2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Database identifiers
- CAS
6348-47-6- PubChem CID
- 5205993
- DTXSID
DTXSID40409856
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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