4-Iodo-3-nitro-N-[4-(6-methoxybenzothiazol-2-yl)-phenyl]-benzamide

HCID 67313205
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Basic information

Standard SMILES
COc1ccc2nc(-c3ccc(NC(=O)c4ccc(I)c([N+](=O)[O-])c4)cc3)sc2c1
InChIKey
YNDHGQPBODWEMK-UHFFFAOYSA-N
Molecular formula
C21H14IN3O4S
Average molar mass
531.3 g/mol
Monoisotopic mass
530.97497

Names & identifiers

Preferred name
4-Iodo-3-nitro-N-[4-(6-methoxybenzothiazol-2-yl)-phenyl]-benzamide
IUPAC
4-iodo-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzamide

Names & synonyms

SCHEMBL2195831YNDHGQPBODWEMK-UHFFFAOYSA-N4-Iodo-3-nitro-N-[4-(6-methoxybenzothiazol-2-yl)-phenyl]-benzamide

Database identifiers

PubChem CID
67313205

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

Related reactions

1 records
New reaction record

Compound notes

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