Chemical ID: 6316442

CN1CCC(CC1)N(Cc2ccccc2OC)C(=S)Nc3cc(cc(c3)OC)OC
Chemical ID:
6316442
Name [?]:
3-(3,5-dimethoxyphenyl)-1-[(2-methoxyphenyl)methyl]-1-(1-methyl-4-piperidyl)-thiourea
SMILES [?]:
CN1CCC(CC1)N(Cc2ccccc2OC)C(=S)Nc3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C23H31N3O3S/c1-25-11-9-19(10-12-25)26(16-17-7-5-6-8-22(17)29-4)23(30)24-18-13-20(27-2)15-21(14-18)28-3/h5-8,13-15,19H,9-12,16H2,1-4H3,(H,24,30)
InChi Info:
AuxInfo=1/1/N:1,28,30,17,12,13,11,14,4,6,3,7,26,22,24,9,10,21,5,25,23,15,18,20,2,8,27,29,16,19/E:(2,3)(9,10)(11,12)(13,14)(20,21)(27,28)/rA:30nCNCCCCCNCCCCCCCOCCSNCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s23;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.1255
Area:622.464
Solvation:-5.43614
Coulombic:-45.885
Bond Count [?]
All:32
Single:25
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:429.577
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.1
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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