1-(3-acetyltetrahydro-2H-1,3-thiazin-2-ylidene)-3-(2,4-dichlorophenoxy)-1-nitro-2-propanone

HCID 54572089
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Basic information

Standard SMILES
CC(=O)N1CCCSC1=C(C(=O)COc1ccc(Cl)cc1Cl)[N+](=O)[O-]
InChIKey
ZXZRROQUMJHAQG-UHFFFAOYSA-N
Molecular formula
C15H14Cl2N2O5S
Average molar mass
405.3 g/mol
Monoisotopic mass
404.0000481

Names & identifiers

Preferred name
1-(3-acetyltetrahydro-2H-1,3-thiazin-2-ylidene)-3-(2,4-dichlorophenoxy)-1-nitro-2-propanone
IUPAC
1-(3-acetyl-1,3-thiazinan-2-ylidene)-3-(2,4-dichlorophenoxy)-1-nitropropan-2-one

Names & synonyms

SCHEMBL11673855ZXZRROQUMJHAQG-UHFFFAOYSA-N1-(3-acetyltetrahydro-2H-1,3-thiazin-2-ylidene)-3-(2,4-dichlorophenoxy)-1-nitro-2-propanone

Database identifiers

PubChem CID
54572089

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
118 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

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