Chemical ID: 3843654

Cc1ccc(cc1)n2c(nnc2SC(C)C(=O)Nc3c(cccc3C)C)c4ccccc4OC
Chemical ID:
3843654
Name [?]:
N-(2,6-dimethylphenyl)-2-[[5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SC(C)C(=O)Nc3c(cccc3C)C)c4ccccc4OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H28N4O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.2526
Area:708.349
Solvation:-4.45608
Coulombic:-42.2186
Bond Count [?]
All:37
Single:25
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:472.603
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.19
LogP (Chemaxon):5.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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