Chemical ID: 6175504

COCCN(Cc1ccccc1)C(=S)Nc2cccc(c2)OC
Chemical ID:
6175504
Name [?]:
1-benzyl-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-thiourea
SMILES [?]:
COCCN(Cc1ccccc1)C(=S)Nc2cccc(c2)OC
InChi [?]:
InChI=1/C18H22N2O2S/c1-21-12-11-20(14-15-7-4-3-5-8-15)18(23)19-16-9-6-10-17(13-16)22-2/h3-10,13H,11-12,14H2,1-2H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,23,10,9,11,18,8,12,17,19,4,3,21,6,7,16,20,13,15,5,2,22,14/E:(4,5)(7,8)/rA:23nCOCCNCCCCCCCCSNCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.97413
Area:534.223
Solvation:-4.38145
Coulombic:-35.863
Bond Count [?]
All:24
Single:17
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.446
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.69
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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