2-Furancarboxylic acid, tetrahydro-, 2-[7-bromo-5-(2-chlorophenyl)-3H-thieno[2,3-e]-1,4-diazepin-2-yl]hydrazide
Basic information
- CAS
59293-12-8- Standard SMILES
O=C(NNC1=Nc2sc(Br)cc2C(c2ccccc2Cl)=NC1)C1CCCO1- InChIKey
UEXGKFQBVJCBDF-UHFFFAOYSA-N- Molecular formula
- C18H16BrClN4O2S
- Average molar mass
- 467.8 g/mol
- Monoisotopic mass
- 465.98659
Names & identifiers
- Preferred name
- 2-Furancarboxylic acid, tetrahydro-, 2-[7-bromo-5-(2-chlorophenyl)-3H-thieno[2,3-e]-1,4-diazepin-2-yl]hydrazide
- IUPAC
- N'-[7-bromo-5-(2-chlorophenyl)-3H-thieno[2,3-e][1,4]diazepin-2-yl]oxolane-2-carbohydrazide
Names & synonyms
DTXSID7011079652-Furancarboxylic acid, tetrahydro-, 2-[7-bromo-5-(2-chlorophenyl)-3H-thieno[2,3-e]-1,4-diazepin-2-yl]hydrazide59293-12-8
Database identifiers
- CAS
59293-12-8- PubChem CID
- 165367362
- DTXSID
DTXSID701107965
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 634
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Compound notes
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