Chemical ID: 5891722

CCc1ccc(cc1)NC(=O)NC(C)c2nnc(n2c3ccc(cc3)C)SCc4cccc(c4)OC
Chemical ID:
5891722
Name [?]:
1-(4-ethylphenyl)-3-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]urea
SMILES [?]:
CCc1ccc(cc1)NC(=O)NC(C)c2nnc(n2c3ccc(cc3)C)SCc4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H31N5O2S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:15.7783
Area:790.025
Solvation:-3.97237
Coulombic:-57.0803
Bond Count [?]
All:39
Single:27
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:501.644
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:7.51
LogP (Chemaxon):6.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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