Chemical ID: 6175578

Cc1ccc(cc1)CN(Cc2ccc(cc2)OC)C(=S)Nc3ccc(cc3)OC
Chemical ID:
6175578
Name [?]:
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-(p-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CN(Cc2ccc(cc2)OC)C(=S)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C24H26N2O2S/c1-18-4-6-19(7-5-18)16-26(17-20-8-12-22(27-2)13-9-20)24(29)25-21-10-14-23(28-3)15-11-21/h4-15H,16-17H2,1-3H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,18,29,3,7,4,6,12,16,23,27,13,15,24,26,8,10,2,5,11,22,14,25,19,21,9,17,28,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCCCCCCCNCCCCCCCOCCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3802
Area:634.2
Solvation:-4.47479
Coulombic:-36.4708
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:406.542
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.94
LogP (Chemaxon):5.84

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Descriptor Annotations

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