Chemical ID: 5481632

CCOC(=O)Cc1csc(n1)SCC(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC
Chemical ID:
5481632
Name [?]:
dimethyl 5-[2-[4-(ethoxycarbonylmethyl)thiazol-2-yl]sulfanylacetyl]aminobenzene-1,3-dicarboxylate
SMILES [?]:
CCOC(=O)Cc1csc(n1)SCC(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N2O7S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.326
Area:714.459
Solvation:-6.53542
Coulombic:-80.0295
Bond Count [?]
All:31
Single:22
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:452.503
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.81
LogP (Chemaxon):2.22

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