ChemDB: Chemical Search
Download
Chemical ID: 6320100
Chemical ID:
6320100
Name [?]:
1-phenethyl-3-phenyl-1-(p-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CN(CCc2ccccc2)C(=S)Nc3ccccc3
InChi [?]:
InChI=1/C23H24N2S/c1-19-12-14-21(15-13-19)18-25(17-16-20-8-4-2-5-9-20)23(26)24-22-10-6-3-7-11-22/h2-15H,16-18H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,15,24,14,16,23,25,13,17,22,26,3,7,4,6,11,10,8,2,12,5,21,18,20,9,19/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCNCCCCCCCCCSNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0411 |
Area: | 593.855 |
Solvation: | -1.80526 |
Coulombic: | -24.243 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 360.516 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.27 |
LogP (Chemaxon): | 6.6 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|