Chemical ID: 6175416

COc1ccc(cc1)CN(Cc2cccc(c2)OC)C(=S)Nc3cccc(c3)OC
Chemical ID:
6175416
Name [?]:
3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
SMILES [?]:
COc1ccc(cc1)CN(Cc2cccc(c2)OC)C(=S)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C24H26N2O3S/c1-27-21-12-10-18(11-13-21)16-26(17-19-6-4-8-22(14-19)28-2)24(30)25-20-7-5-9-23(15-20)29-3/h4-15H,16-17H2,1-3H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,19,30,14,25,13,24,15,26,5,7,4,8,17,28,9,11,6,12,23,3,16,27,20,22,10,2,18,29,21/E:(10,11)(12,13)/rA:30nCOCCCCCCCNCCCCCCCOCCSNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s10;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.2309
Area:645.37
Solvation:-5.90336
Coulombic:-42.9849
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:422.541
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.42
LogP (Chemaxon):5.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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