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Chemical ID: 6004359
Chemical ID:
6004359
Name [?]:
3,4-dichloro-N-[1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]benzamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N4O2S/c1-10-4-3-5-13(8-10)18-24-25-19(28-18)23-16(26)11(2)22-17(27)12-6-7-14(20)15(21)9-12/h3-9,11H,1-2H3,(H,22,27)(H,23,25,26)
InChi Info:
AuxInfo=1/1/N:1,17,4,3,5,22,23,7,26,2,16,21,6,24,25,14,19,8,11,28,27,18,13,9,10,15,20,12/rA:28cCCCCCCCCNNCSNCOCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N4O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9916 |
Area: | 662.916 |
Solvation: | -3.58126 |
Coulombic: | -49.3015 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 435.328 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.56 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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