Chemical ID: 4467621

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(C)C)COc3cccc(c3)C
Chemical ID:
4467621
Name [?]:
2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(C)C)COc3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H28N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.075
Area:695.238
Solvation:-4.30598
Coulombic:-41.4913
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.56
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.48
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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