Chemical ID: 6185521

Cc1cccc(c1)CSc2nnc(n2c3cc(ccc3C)C)CNC(=O)c4ccc(cc4)OC
Chemical ID:
6185521
Name [?]:
N-[[4-(2,5-dimethylphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide
SMILES [?]:
Cc1cccc(c1)CSc2nnc(n2c3cc(ccc3C)C)CNC(=O)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H28N4O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.6618
Area:744.805
Solvation:-3.95835
Coulombic:-43.8926
Bond Count [?]
All:37
Single:25
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:472.603
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.26
LogP (Chemaxon):5.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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