Chemical ID: 5103078

CC(=C)Cn1c(nnc1SCC(=O)c2ccc(cc2)OC)c3ccc(cc3)C(C)(C)C
Chemical ID:
5103078
Name [?]:
1-(4-methoxyphenyl)-2-[[4-(2-methylprop-2-enyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
CC(=C)Cn1c(nnc1SCC(=O)c2ccc(cc2)OC)c3ccc(cc3)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29N3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9952
Area:680.84
Solvation:-4.02576
Coulombic:-31.3331
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:435.583
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.31
LogP (Chemaxon):5.55

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