Basic information
- Standard SMILES
Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1OCCCC(=O)N1CCN(CCC(C)(C)C)CC1- InChIKey
HWTXPXPYCPWLIL-UHFFFAOYSA-N- Molecular formula
- C33H44N6O3
- Average molar mass
- 572.7 g/mol
Names & identifiers
- Preferred name
- 1-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-[2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-butan-1-one
- IUPAC
- 1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]butan-1-one
Names & synonyms
SCHEMBL2134827HWTXPXPYCPWLIL-UHFFFAOYSA-N1-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-[2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-butan-1-one
Database identifiers
- PubChem CID
- 136128443
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 903
Related reactions
2 records
Compound notes
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