Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1- InChIKey
XDPRVRDUQNALJL-UHFFFAOYSA-N- Molecular formula
- C21H20BrN3O4
- Average molar mass
- 458.3 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-ylidenepropanedioic acid diethyl ester
- IUPAC
- diethyl 2-(7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate
Names & synonyms
SCHEMBL11232951XDPRVRDUQNALJL-UHFFFAOYSA-N7-Bromo-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-ylidenepropanedioic acid diethyl ester
Database identifiers
- PubChem CID
- 70543778
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 659
Related reactions
1 records
Compound notes
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