Chemical ID: 4447387

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OC)c3ccc(cc3Cl)Cl
Chemical ID:
4447387
Name [?]:
methyl 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)OC)c3ccc(cc3Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18Cl2N4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.3662
Area:693.815
Solvation:-3.9792
Coulombic:-53.2345
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:465.353
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.13
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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