Basic information
- Standard SMILES
CC(C)NOC(=O)c1n[nH]c2c(=O)[nH]c3cc(Cl)ccc3c(=O)c12- InChIKey
WLVXFIIYSBFIFZ-UHFFFAOYSA-N- Molecular formula
- C15H13ClN4O4
- Average molar mass
- 348.74 g/mol
- Monoisotopic mass
- 348.0625326
Names & identifiers
- Preferred name
- 7-Chloro-3-[[(isopropylamino)oxy]carbonyl]pyrazolo[3,4-c]-[1]benzazepine-4,10(1H,9H)-dione
- IUPAC
- (propan-2-ylamino) 7-chloro-4,10-dioxo-2,5-dihydropyrazolo[3,4-c][1]benzazepine-1-carboxylate
Names & synonyms
SCHEMBL7875180WLVXFIIYSBFIFZ-UHFFFAOYSA-N7-Chloro-3-[[(isopropylamino)oxy]carbonyl]pyrazolo[3,4-c]-[1]benzazepine-4,10(1H,9H)-dione7-Chloro-3-[[(isopropylamino)oxy]carbonyl]pyrazolo[3,4-c][1]benzazepine-4,10(1H,9H) -dione
Database identifiers
- PubChem CID
- 23293560
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 544
Related reactions
3 records
Compound notes
Loading…