2-acetyl-4-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)-9H-indeno[2,1-b]thieno[3,2-e]pyridin-9-one
Basic information
- CAS
496784-77-1- Standard SMILES
COc1ccc(-c2c3c(nc4sc(C(C)=O)c(-n5cccc5)c24)C(=O)c2ccccc2-3)cc1- InChIKey
QKSXXTATTGWGGT-UHFFFAOYSA-N- Molecular formula
- C27H18N2O3S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.10381361
Names & identifiers
- Preferred name
- 2-acetyl-4-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)-9H-indeno[2,1-b]thieno[3,2-e]pyridin-9-one
- IUPAC
- 13-acetyl-16-(4-methoxyphenyl)-14-pyrrol-1-yl-12-thia-10-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaen-8-one
- English name
- 2-acetyl-4-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)-9H-indeno[2,1-b]thieno[3,2-e]pyridin-9-one
- Molecular formula
- C27H18N2O3S
- Molecular weight
- 450.50842
Names & synonyms
2-acetyl-4-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)-9H-indeno[2,1-b]thieno[3,2-e]pyridin-9-oneAN-848/3740001613-acetyl-16-(4-methoxyphenyl)-14-pyrrol-1-yl-12-thia-10-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaen-8-one
Database identifiers
- CAS
496784-77-1- PubChem CID
- 1022258
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 762
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