Chemical ID: 4869205

CCCOc1ccc(cc1)C=C2C(=O)N=C(S2)N3CCCC3
Chemical ID:
4869205
Name [?]:
5-[(4-propoxyphenyl)methylene]-2-pyrrolidin-1-yl-thiazol-4-one
SMILES [?]:
CCCOc1ccc(cc1)C=C2C(=O)N=C(S2)N3CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H20N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2998
Area:527.768
Solvation:-2.8944
Coulombic:-32.5743
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:316.419
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.55
LogP (Chemaxon):3.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue