Chemical ID: 5404159

CCc1ccc(cc1)OCc2nnc(n2CC(C)C)SCC(=O)Nc3c(cccc3C(C)C)C(C)C
Chemical ID:
5404159
Name [?]:
N-(2,6-diisopropylphenyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCc1ccc(cc1)OCc2nnc(n2CC(C)C)SCC(=O)Nc3c(cccc3C(C)C)C(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H40N4O2S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:15.6412
Area:790.254
Solvation:-4.11513
Coulombic:-43.0942
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:508.72
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:8.58
LogP (Chemaxon):5.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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