Chemical ID: 7526865

C=CCn1c(nnc1SCc2ccc(c(c2)Cl)Cl)CC(=O)Nc3ccccc3Cl
Chemical ID:
7526865
Name [?]:
2-[4-allyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-chlorophenyl)-acetamide
SMILES [?]:
C=CCn1c(nnc1SCc2ccc(c(c2)Cl)Cl)CC(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C20H17Cl3N4OS/c1-2-9-27-18(11-19(28)24-17-6-4-3-5-15(17)22)25-26-20(27)29-12-13-7-8-14(21)16(23)10-13/h2-8,10H,1,9,11-12H2,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,12,13,3,16,19,10,11,14,28,15,23,5,20,8,18,29,17,22,6,7,4,21,9/rA:29nCCCNCNNCSCCCCCCCClClCCONCCCCCCCl/rB:d1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s5;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17Cl3N4OS
All Atoms:46
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:13.734
Area:680.772
Solvation:-3.28527
Coulombic:-35.6893
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:6.82
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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