Chemical ID: 5443327

COc1ccc(cc1)C(=O)CSc2nnc(n2CC=C)CC(=O)Nc3cccc(c3)OC
Chemical ID:
5443327
Name [?]:
2-[4-allyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)C(=O)CSc2nnc(n2CC=C)CC(=O)Nc3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24N4O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.1796
Area:707.485
Solvation:-7.50754
Coulombic:-53.5798
Bond Count [?]
All:34
Single:23
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:452.527
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.4
LogP (Chemaxon):2.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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