Basic information
- Standard SMILES
Cc1nnc2n1-c1ccc(-c3ncccn3)cc1N(c1ccc(Cl)cc1)CC2- InChIKey
HVTTWNDTYYVGLI-UHFFFAOYSA-N- Molecular formula
- C21H17ClN6
- Average molar mass
- 388.9 g/mol
Names & identifiers
- Preferred name
- 6-(4-chlorophenyl)-1-methyl-8-(pyrimidin-2-yl)-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine
- IUPAC
- 6-(4-chlorophenyl)-1-methyl-8-pyrimidin-2-yl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
Names & synonyms
SCHEMBL13730428HVTTWNDTYYVGLI-UHFFFAOYSA-N6-(4-chlorophenyl)-1-methyl-8-(pyrimidin-2-yl)-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine
Database identifiers
- PubChem CID
- 70979366
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Related reactions
1 records
Compound notes
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