Chemical ID: 6175516

COc1ccc(cc1)CN(Cc2cccnc2)C(=S)Nc3ccc(cc3)OC
Chemical ID:
6175516
Name [?]:
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-(3-pyridylmethyl)thiourea
SMILES [?]:
COc1ccc(cc1)CN(Cc2cccnc2)C(=S)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H23N3O2S/c1-26-20-9-5-17(6-10-20)15-25(16-18-4-3-13-23-14-18)22(28)24-19-7-11-21(27-2)12-8-19/h3-14H,15-16H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,28,14,13,5,7,22,26,4,8,23,25,15,17,9,11,6,12,21,3,24,18,16,20,10,2,27,19/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCOCCCCCCCNCCCCCNCCSNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s10;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.2295
Area:614.36
Solvation:-5.12945
Coulombic:-39.4632
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.503
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):4.06

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Descriptor Annotations

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