Chemical ID: 4461429

CCn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)OC(C)C)c3ccc(cc3)C
Chemical ID:
4461429
Name [?]:
isopropyl 3-[2-[[4-ethyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)OC(C)C)c3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.8763
Area:701.742
Solvation:-3.66722
Coulombic:-53.8467
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:438.544
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.21
LogP (Chemaxon):4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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