Chemical ID: 4460080

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OCC)c3ccc(cc3Cl)Cl
Chemical ID:
4460080
Name [?]:
ethyl 4-[2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OCC)c3ccc(cc3Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20Cl2N4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.2173
Area:722.575
Solvation:-3.84705
Coulombic:-53.5436
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:479.38
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.56
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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