3,6-Diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
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Basic information
- CAS
350609-40-4- Standard SMILES
N#Cc1c(N)nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c1-c1ccccc1- InChIKey
ALHAHKARGFYWQR-UHFFFAOYSA-N- Molecular formula
- C21H13N5O3S
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.07391047
Names & identifiers
- Preferred name
- 3,6-Diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
- IUPAC
- 3,6-diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
- English name
- 3,6-diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
- Molecular formula
- C21H13N5O3S
- Molecular weight
- 415.42462
Names & synonyms
3,6-diamino-2-(4-nitrobenzoyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile350609-40-4ChemDiv1_011513Oprea1_411863Oprea1_475843HMS619L07AKOS001743369AK-968/37129346SR-01000521445SR-01000521445-1
Database identifiers
- CAS
350609-40-4- PubChem CID
- 5571434
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
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Compound notes
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