Chemical ID: 5402056

Cc1ccc(cc1)NC(=O)CSc2nnc(n2C)COc3ccc(cc3)C
Chemical ID:
5402056
Name [?]:
2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc(n2C)COc3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3479
Area:630.573
Solvation:-4.4164
Coulombic:-40.537
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.48
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.09
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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