Chemical ID: 5451040

COc1ccc(cc1)Cc2nnc(n2CC=C)SCC(=O)c3ccc(cc3)OC
Chemical ID:
5451040
Name [?]:
2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(cc1)Cc2nnc(n2CC=C)SCC(=O)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6529
Area:657.282
Solvation:-5.77919
Coulombic:-36.0736
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:409.502
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.37
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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