Basic information
- CAS
1049986-41-5- Standard SMILES
C=CCN=c1scc(-c2ccccc2)n1C(CO)C(O)c1ccc([N+](=O)[O-])cc1- InChIKey
IWLJMUVMSARHGI-UHFFFAOYSA-N- Molecular formula
- C21H21N3O4S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.12527733
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol
- IUPAC
- 1-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diol
Names & synonyms
1049986-41-51-(4-nitrophenyl)-2-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)propane-1,3-diolOprea1_475590DTXSID104065941-(4-Nitrophenyl)-2-[(2Z)-4-phenyl-2-[(prop-2-en-1-yl)imino]-1,3-thiazol-3(2H)-yl]propane-1,3-diol
Database identifiers
- CAS
1049986-41-5- PubChem CID
- 4829232
- DTXSID
DTXSID10406594
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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