Chemical ID: 5984462

CCOc1ccccc1NC(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)C
Chemical ID:
5984462
Name [?]:
N-(2-ethoxyphenyl)-N'-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25N5O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.9852
Area:701.348
Solvation:-5.54851
Coulombic:-63.7617
Bond Count [?]
All:35
Single:25
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:451.543
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.37
LogP (Chemaxon):3.97

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