Chemical ID: 5983619

CCCC(=O)NC(Cc1ccccc1)C(=O)Nc2nnc(s2)c3ccc(cc3)Cl
Chemical ID:
5983619
Name [?]:
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-phenyl-ethyl]butanamide
SMILES [?]:
CCCC(=O)NC(Cc1ccccc1)C(=O)Nc2nnc(s2)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21ClN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.4331
Area:658.664
Solvation:-4.03349
Coulombic:-48.0518
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:428.936
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.05
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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