Chemical ID: 6290479

Cc1ccc(c(c1)NC(=S)N(Cc2cccc(c2)OC)Cc3cccnc3)OC
Chemical ID:
6290479
Name [?]:
3-(2-methoxy-5-methyl-phenyl)-1-[(3-methoxyphenyl)methyl]-1-(3-pyridylmethyl)thiourea
SMILES [?]:
Cc1ccc(c(c1)NC(=S)N(Cc2cccc(c2)OC)Cc3cccnc3)OC
InChi [?]:
InChI=1/C23H25N3O2S/c1-17-9-10-22(28-3)21(12-17)25-23(29)26(16-19-7-5-11-24-14-19)15-18-6-4-8-20(13-18)27-2/h4-14H,15-16H2,1-3H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,20,29,15,24,14,23,16,3,4,25,7,18,27,12,21,2,13,22,17,6,5,9,26,8,11,19,28,10/rA:29nCCCCCCCNCSNCCCCCCCOCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s11;s21;s22;d23;s24;d25;d22s26;s5;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.7577
Area:631.451
Solvation:-5.02856
Coulombic:-40.2211
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

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Descriptor Annotations

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