Chemical ID: 5571042

CCC(CC)c1nnc(s1)NC(=O)c2ccc3c(c2)OCCO3
Chemical ID:
5571042
Name [?]:
N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
CCC(CC)c1nnc(s1)NC(=O)c2ccc3c(c2)OCCO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H19N3O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.24816
Area:541.192
Solvation:-4.28163
Coulombic:-41.8566
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.406
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.81
LogP (Chemaxon):2.61

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