Chemical ID: 6244617

Cc1ccc(c2c1nc(s2)NC(=O)c3ccc4c(c3)OCCO4)C
Chemical ID:
6244617
Name [?]:
N-(4,7-dimethylbenzothiazol-2-yl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
Cc1ccc(c2c1nc(s2)NC(=O)c3ccc4c(c3)OCCO4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.39956
Area:523.777
Solvation:-3.69485
Coulombic:-44.0754
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.397
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.97
LogP (Chemaxon):4.39

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