Chemical ID: 4491671

CCOc1ccc(cc1)Cc2nnc(n2CC=C)SCC(=O)N
Chemical ID:
4491671
Name [?]:
2-[[4-allyl-5-[(4-ethoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCOc1ccc(cc1)Cc2nnc(n2CC=C)SCC(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H20N4O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.71779
Area:560.75
Solvation:-4.30096
Coulombic:-45.178
Bond Count [?]
All:24
Single:17
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.422
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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