Chemical ID: 3961592

CCOc1ccc(cc1)c2nnc(s2)N(CC(C)C)C(=O)c3ccccc3
Chemical ID:
3961592
Name [?]:
N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-isobutyl-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2nnc(s2)N(CC(C)C)C(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0682
Area:605.561
Solvation:-3.0708
Coulombic:-33.1099
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.492
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.74
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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