Basic information
- CAS
5966-22-3- Standard SMILES
C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S- InChIKey
NASLGRREAVKNNT-XFXZXTDPSA-N- Molecular formula
- C18H12Cl2N2O3S
- Average molar mass
- 407.3 g/mol
- Monoisotopic mass
- 405.9945688
Names & identifiers
- Preferred name
- (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
5966-22-3AC1M40WVDTXSID60367222(5Z)-5-{[5-(2,3-DICHLOROPHENYL)FURAN-2-YL]METHYLIDENE}-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONEAKOS000324065BIM-0039519.P001
Database identifiers
- CAS
5966-22-3- PubChem CID
- 2248573
- DTXSID
DTXSID60367222
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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