Basic information
- Standard SMILES
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(=Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21- InChIKey
MSUBEHKQKYMEQJ-UHFFFAOYSA-N- Molecular formula
- C37H32N6O2
- Average molar mass
- 592.7 g/mol
Names & identifiers
- Preferred name
- N-benzyl-2-[4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-acetamide
- IUPAC
- N-benzyl-2-[4-(1H-indol-3-ylmethylidene)-5-oxo-1-phenyl-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide
Names & synonyms
SCHEMBL5106529MSUBEHKQKYMEQJ-UHFFFAOYSA-NN-benzyl-2-[4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-acetamide
Database identifiers
- PubChem CID
- 136347732
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
3 records
Compound notes
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