Chemical ID: 6175379

CCOc1ccccc1CN(Cc2cccnc2)C(=S)Nc3cccc(c3)OC
Chemical ID:
6175379
Name [?]:
1-[(2-ethoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-(3-pyridylmethyl)thiourea
SMILES [?]:
CCOc1ccccc1CN(Cc2cccnc2)C(=S)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C23H25N3O2S/c1-3-28-22-12-5-4-9-19(22)17-26(16-18-8-7-13-24-15-18)23(29)25-20-10-6-11-21(14-20)27-2/h4-15H,3,16-17H2,1-2H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,29,2,7,6,24,15,14,8,23,25,5,16,27,18,12,10,13,9,22,26,4,19,17,21,11,28,3,20/rA:29nCCOCCCCCCCNCCCCCNCCSNCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s11;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.9142
Area:619.361
Solvation:-4.56984
Coulombic:-40.4222
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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