Basic information
- Standard SMILES
Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1OCCCC(=O)O- InChIKey
YSEZWZZZSUMWCF-UHFFFAOYSA-N- Molecular formula
- C23H24N4O4
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-Methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-butyric Acid
- IUPAC
- 4-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]butanoic acid
Names & synonyms
SCHEMBL2128366YSEZWZZZSUMWCF-UHFFFAOYSA-N4-[2-Methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-butyric Acid
Database identifiers
- PubChem CID
- 136128405
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 647
Related reactions
4 records
Compound notes
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