Chemical ID: 4265758

CCOc1ccc(cc1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)Cc2ccccc2
Chemical ID:
4265758
Name [?]:
2-phenyl-N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)thiocarbamoylamino]ethyl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C19H20Cl3N3O2S/c1-2-27-15-10-8-14(9-11-15)23-18(28)25-17(19(20,21)22)24-16(26)12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,24,26)(H2,23,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,28,6,8,5,9,22,23,7,4,20,14,11,15,16,17,18,10,19,13,21,3,12/E:(4,5)(6,7)(8,9)(10,11)(20,21,22)/rA:28cCCOCCCCCCNCSNCCClClClNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s15;s15;s14;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20Cl3N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.7465
Area:669.27
Solvation:-3.98519
Coulombic:-56.6714
Bond Count [?]
All:29
Single:21
Double:8
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:460.805
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:5.07
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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