Chemical ID: 5984538

COc1cccc(c1)c2nnc(s2)NC(=O)C3CCCN3C(=O)Nc4ccc(cc4)C#N
Chemical ID:
5984538
Name [?]:
N'-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
COc1cccc(c1)c2nnc(s2)NC(=O)C3CCCN3C(=O)Nc4ccc(cc4)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20N6O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.0672
Area:697.789
Solvation:-6.37749
Coulombic:-65.0581
Bond Count [?]
All:35
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.499
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.23
LogP (Chemaxon):2.97

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