Basic information
- Standard SMILES
Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1OCCCC(=O)OC(C)(C)C- InChIKey
NRDATDAAYLONSS-UHFFFAOYSA-N- Molecular formula
- C27H32N4O4
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.24235551
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 Tert-butyl Ester
- IUPAC
- tert-butyl 4-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenoxy]butanoate
Names & synonyms
SCHEMBL2128740NRDATDAAYLONSS-UHFFFAOYSA-N4-[2-Methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-butyric Acid Tert-butyl Ester
Database identifiers
- PubChem CID
- 136128396
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 741
Related reactions
4 records
Compound notes
Loading…