1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-methylenebis(2,3,4,5-tetrahydro-4-methyl-
Basic information
- CAS
58536-13-3- Standard SMILES
CC1CC(C#N)Nc2ccc(Cc3ccc4c(c3)NC(C)CC(C#N)N4)cc2N1- InChIKey
COVCTIVNMXBZOA-UHFFFAOYSA-N- Molecular formula
- C23H26N6
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.22189485
Names & identifiers
- Preferred name
- 1H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-methylenebis(2,3,4,5-tetrahydro-4-methyl-
- IUPAC
- 7-[(2-cyano-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-yl)methyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile
Names & synonyms
58536-13-31H-1,5-Benzodiazepine-2-carbonitrile, 7,7'-methylenebis(2,3,4,5-tetrahydro-4-methyl-RefChem:10577507,7'-Methylenebis(2,3,4,5-tetrahydro-4-methyl-1H-1,5-benzodiazepine-2-carbonitrile)BRN 1179516AN-23SCHEMBL29649362DTXSID209740927,7'-Methylenebis(4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbonitrile)
Database identifiers
- CAS
58536-13-3- PubChem CID
- 42770
- DTXSID
DTXSID20974092
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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