3-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
AlkaPlorer ID: AK275074
Synonym: None
IUPAC Name: 3-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Structure
SMILES: N#CC(=CC1=CC=C(Cl)C=C1)C1=NC(C2=CC=CC=C2)=CS1
InChI: InChI=1S/C18H11ClN2S/c19-16-8-6-13(7-9-16)10-15(11-20)18-21-17(12-22-18)14-4-2-1-3-5-14/h1-10,12H
InChIKey: DGYIXQYTFLVTQV-UHFFFAOYSA-N
Reference
<i>neo-</i>Clerodane Diterpenoids from <i>Ajuga bracteosa</i>
PubChem CID: 2753945
COCONUT: CNP0030337
Source
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Properties Information
Molecule Weight: 322.82
TPSA？: 36.68
MolLogP？: 5.527680000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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