Chemical ID: 3854444

Cc1ccccc1OCc2nnc(n2Cc3ccccc3)SCC(=O)OC(C)C
Chemical ID:
3854444
Name [?]:
isopropyl 2-[[4-benzyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
Cc1ccccc1OCc2nnc(n2Cc3ccccc3)SCC(=O)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8429
Area:638.661
Solvation:-4.12357
Coulombic:-40.5602
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.518
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.0
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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