Chemical ID: 5157402

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OCC)COc3ccccc3OC
Chemical ID:
5157402
Name [?]:
ethyl 4-[2-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OCC)COc3ccccc3OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N4O5S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.3158
Area:743.27
Solvation:-7.26592
Coulombic:-66.5709
Bond Count [?]
All:35
Single:25
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:470.543
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.64
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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