Chemical ID: 4389968

c1ccc(cc1)Oc2cccc(c2)C=C(C(=O)NCc3cccnc3)S(=O)(=O)c4ccccc4
Chemical ID:
4389968
Name [?]:
3-(3-phenoxyphenyl)-2-phenylsulfonyl-N-(3-pyridylmethyl)prop-2-enamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C=C(C(=O)NCc3cccnc3)S(=O)(=O)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H22N2O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.3667
Area:682.288
Solvation:-4.69053
Coulombic:-41.9613
Bond Count [?]
All:37
Single:21
Double:16
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:470.541
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.53
LogP (Chemaxon):4.19

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