Chemical ID: 5891695

Cc1ccc(cc1)n2c(nnc2SCc3ccccc3C)C(C)NC(=O)Nc4ccc(cc4)SC
Chemical ID:
5891695
Name [?]:
3-(4-methylsulfanylphenyl)-1-[1-[5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]urea
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3ccccc3C)C(C)NC(=O)Nc4ccc(cc4)SC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H29N5OS2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:16.6568
Area:780.185
Solvation:-2.84786
Coulombic:-50.7203
Bond Count [?]
All:38
Single:26
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:503.684
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:7.87
LogP (Chemaxon):6.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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