Chemical ID: 6175184

CCOc1ccccc1NC(=S)N(Cc2cccc(c2)OC)Cc3cccnc3
Chemical ID:
6175184
Name [?]:
3-(2-ethoxyphenyl)-1-[(3-methoxyphenyl)methyl]-1-(3-pyridylmethyl)thiourea
SMILES [?]:
CCOc1ccccc1NC(=S)N(Cc2cccc(c2)OC)Cc3cccnc3
InChi [?]:
InChI=1/C23H25N3O2S/c1-3-28-22-12-5-4-11-21(22)25-23(29)26(17-19-9-7-13-24-15-19)16-18-8-6-10-20(14-18)27-2/h4-15H,3,16-17H2,1-2H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,22,2,7,6,17,26,16,25,18,8,5,27,20,29,14,23,15,24,19,9,4,11,28,10,13,21,3,12/rA:29nCCOCCCCCCNCSNCCCCCCCOCCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s13;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.9473
Area:635.715
Solvation:-4.94554
Coulombic:-40.6982
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:407.53
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.67
LogP (Chemaxon):4.41

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Descriptor Annotations

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