Chemical ID: 5992432

CN(C)c1ccc(cc1)c2nnc(s2)NC(=O)C3CCCN3C(=O)c4ccc(cc4)Cl
Chemical ID:
5992432
Name [?]:
1-(4-chlorobenzoyl)-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-pyrrolidine-2-carboxamide
SMILES [?]:
CN(C)c1ccc(cc1)c2nnc(s2)NC(=O)C3CCCN3C(=O)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22ClN5O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.1803
Area:690.277
Solvation:-5.0766
Coulombic:-49.3371
Bond Count [?]
All:34
Single:24
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:455.961
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.93
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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