Chemical ID: 7039063

Cc1ccc(cc1)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc2ccc(cc2)OC
Chemical ID:
7039063
Name [?]:
2-(p-tolyl)-N-[2,2,2-trichloro-1-[(4-methoxyphenyl)thiocarbamoylamino]ethyl]-acetamide
SMILES [?]:
Cc1ccc(cc1)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H20Cl3N3O2S/c1-12-3-5-13(6-4-12)11-16(26)24-17(19(20,21)22)25-18(28)23-14-7-9-15(27-2)10-8-14/h3-10,17H,11H2,1-2H3,(H,24,26)(H2,23,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,3,7,4,6,22,26,23,25,8,2,5,21,24,9,12,18,13,14,15,16,20,11,17,10,27,19/E:(3,4)(5,6)(7,8)(9,10)(20,21,22)/rA:28cCCCCCCCCCONCCClClClNCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s13;s13;s12;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20Cl3N3O2S
All Atoms:48
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.468
Area:663.371
Solvation:-4.11627
Coulombic:-56.1243
Bond Count [?]
All:29
Single:21
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:460.805
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:5.08
LogP (Chemaxon):5.05

Name Annotations

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Descriptor Annotations

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