Chemical ID: 5303397

COc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3cccc(c3)OC
Chemical ID:
5303397
Name [?]:
2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.796
Area:646.926
Solvation:-5.37719
Coulombic:-48.7005
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.491
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.98
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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