2-Dimethylamino-1-(7-methoxy-8-nitro-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone

HCID 67264366
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2c(cc1[N+](=O)[O-])CCN(C(=O)CN(C)C)CC2
InChIKey
AQXVSNPHTBIMAK-UHFFFAOYSA-N
Molecular formula
C15H21N3O4
Average molar mass
307.34 g/mol

Names & identifiers

Preferred name
2-Dimethylamino-1-(7-methoxy-8-nitro-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone
IUPAC
2-(dimethylamino)-1-(7-methoxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone

Names & synonyms

SCHEMBL2062110AQXVSNPHTBIMAK-UHFFFAOYSA-N2-dimethylamino-1-(7-methoxy-8-nitro-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone

Database identifiers

PubChem CID
67264366

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
78.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

Loading…