Chemical ID: 6290640

Cc1cccc(c1)CN(Cc2cccnc2)C(=S)Nc3ccc(cc3OC)OC
Chemical ID:
6290640
Name [?]:
3-(2,4-dimethoxyphenyl)-1-(m-tolylmethyl)-1-(3-pyridylmethyl)thiourea
SMILES [?]:
Cc1cccc(c1)CN(Cc2cccnc2)C(=S)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C23H25N3O2S/c1-17-6-4-7-18(12-17)15-26(16-19-8-5-11-24-14-19)23(29)25-21-10-9-20(27-2)13-22(21)28-3/h4-14H,15-16H2,1-3H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,29,27,4,13,3,5,12,22,21,14,7,24,16,8,10,2,6,11,23,20,25,17,15,19,9,28,26,18/rA:29nCCCCCCCCNCCCCCNCCSNCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.9981
Area:633.527
Solvation:-4.84009
Coulombic:-40.0485
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.53
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.69
LogP (Chemaxon):4.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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