Chemical ID: 6384437

Cc1ccc(cc1)CNC(=S)Nc2ccc(cc2)OC
Chemical ID:
6384437
Name [?]:
3-(4-methoxyphenyl)-1-(p-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CNC(=S)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C16H18N2OS/c1-12-3-5-13(6-4-12)11-17-16(20)18-14-7-9-15(19-2)10-8-14/h3-10H,11H2,1-2H3,(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,4,6,14,18,15,17,8,2,5,13,16,10,9,12,19,11/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCCNCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.89449
Area:501.121
Solvation:-2.63355
Coulombic:-33.3462
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.393
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):4.07

Name Annotations

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Descriptor Annotations

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