Chemical ID: 5978284

Cc1ccc(cc1)NC(=O)NC(C)c2nnc(n2c3ccc(cc3)C)SCc4ccccc4
Chemical ID:
5978284
Name [?]:
3-[1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-1-(p-tolyl)urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)NC(C)c2nnc(n2c3ccc(cc3)C)SCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H27N5OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:15.5463
Area:726.782
Solvation:-2.6232
Coulombic:-50.5142
Bond Count [?]
All:36
Single:24
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:457.592
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:7.13
LogP (Chemaxon):6.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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