Chemical ID: 5302749

C=CCn1c(nnc1SCC(=O)Nc2ccc3c(c2)OCCO3)COc4ccccc4
Chemical ID:
5302749
Name [?]:
2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)Nc2ccc3c(c2)OCCO3)COc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22N4O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.8197
Area:674.513
Solvation:-6.04313
Coulombic:-57.5556
Bond Count [?]
All:34
Single:24
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.501
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.45
LogP (Chemaxon):2.85

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