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Chemical ID: 6175345
Chemical ID:
6175345
Name [?]:
1-benzyl-3-(3-methoxyphenyl)-1-(p-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CN(Cc2ccccc2)C(=S)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C23H24N2OS/c1-18-11-13-20(14-12-18)17-25(16-19-7-4-3-5-8-19)23(27)24-21-9-6-10-22(15-21)26-2/h3-15H,16-17H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,27,14,13,15,22,12,16,21,23,3,7,4,6,25,10,8,2,11,5,20,24,17,19,9,26,18/E:(4,5)(7,8)(11,12)(13,14)/rA:27nCCCCCCCCNCCCCCCCCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7509 |
Area: | 594.596 |
Solvation: | -3.114 |
Coulombic: | -30.3495 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.516 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.03 |
LogP (Chemaxon): | 6.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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