7-Chloro-3-[[(isopropylamino)oxy]carbonyl]pyrazolo[3,4-c]-[1]benzazepine-4,10(1H,9H)-dione

HCID 178458085

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

Related reactions

3 records

Compound notes

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