Chemical ID: 6318695

COc1ccc(cc1)NC(=S)N(Cc2ccccc2)Cc3ccccc3
Chemical ID:
6318695
Name [?]:
1,1-dibenzyl-3-(4-methoxyphenyl)-thiourea
SMILES [?]:
COc1ccc(cc1)NC(=S)N(Cc2ccccc2)Cc3ccccc3
InChi [?]:
InChI=1/C22H22N2OS/c1-25-21-14-12-20(13-15-21)23-22(26)24(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,17,24,16,18,23,25,15,19,22,26,5,7,4,8,13,20,14,21,6,3,10,9,12,2,11/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)/rA:26nCOCCCCCCNCSNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2622
Area:575.851
Solvation:-3.13404
Coulombic:-30.4676
Bond Count [?]
All:28
Single:18
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:362.489
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.59
LogP (Chemaxon):5.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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