Chemical ID: 5577106

Cc1ccc(c(c1)C)NC(=O)CSc2nnc(n2CCOC)COc3ccccc3c4ccccc4
Chemical ID:
5577106
Name [?]:
N-(2,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-5-[(2-phenylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CSc2nnc(n2CCOC)COc3ccccc3c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H30N4O3S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.7947
Area:780.797
Solvation:-5.72522
Coulombic:-50.7682
Bond Count [?]
All:39
Single:27
Double:12
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:502.629
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.63
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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