Chemical ID: 4489515

CCn1c(nnc1SCC(=O)Nc2ccccc2C(=O)OC)c3cccc(c3)C
Chemical ID:
4489515
Name [?]:
methyl 2-[2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2C(=O)OC)c3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.7762
Area:645.359
Solvation:-3.35774
Coulombic:-54.0461
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.491
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.76
LogP (Chemaxon):4.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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