N-[5-(5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
Basic information
- CAS
6488-39-7- Standard SMILES
Nc1scc2c(-c3nnc(NC(=O)c4ccccc4)s3)nn(-c3ccccc3)c(=O)c12- InChIKey
JWVQQQPWTBWPDQ-UHFFFAOYSA-N- Molecular formula
- C21H14N6O2S2
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.06196606
Names & identifiers
- Preferred name
- N-[5-(5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
- IUPAC
- N-[5-(5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
Names & synonyms
6488-39-7ST50976237N-[5-(5-amino-4-oxo-3-phenylthieno[3,4-d]pyridazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamideN-(5-{5-AMINO-4-OXO-3-PHENYLTHIENO[3,4-D]PYRIDAZIN-1-YL}-1,3,4-THIADIAZOL-2-YL)BENZAMIDEDTXSID90409962AKOS024351517ST109056N-[5-(5-Amino-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamideN-[5-(7-amino-1-oxo-2-phenyl(2-hydrothiopheno[3,4-d]pyridazin-4-yl))(1,3,4-thi adiazol-2-yl)]benzamide
Database identifiers
- CAS
6488-39-7- PubChem CID
- 5207315
- DTXSID
DTXSID90409962
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 725
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