4-[2-(4-Fluorophenyl)ethylamino]-2,2-dimethyl-7-nitro-3,4-dihydrochromen-3-ol

HCID 68429652
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)Oc2cc([N+](=O)[O-])ccc2C(NCCc2ccc(F)cc2)C1O
InChIKey
BYAASUKDQGWHIZ-UHFFFAOYSA-N
Molecular formula
C19H21FN2O4
Average molar mass
360.4 g/mol
Monoisotopic mass
360.14853532

Names & identifiers

Preferred name
4-[2-(4-Fluorophenyl)ethylamino]-2,2-dimethyl-7-nitro-3,4-dihydrochromen-3-ol
IUPAC
4-[2-(4-fluorophenyl)ethylamino]-2,2-dimethyl-7-nitro-3,4-dihydrochromen-3-ol

Names & synonyms

SCHEMBL2889409

Database identifiers

PubChem CID
68429652

Properties

Computed structural properties

XLogP
3
Topological polar surface area
87.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

Related reactions

1 records
New reaction record

Compound notes

Loading…