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Chemical ID: 6320174
Chemical ID:
6320174
Name [?]:
1-benzyl-3-phenyl-1-[2-(p-tolyl)ethyl]thiourea
SMILES [?]:
Cc1ccc(cc1)CCN(Cc2ccccc2)C(=S)Nc3ccccc3
InChi [?]:
InChI=1/C23H24N2S/c1-19-12-14-20(15-13-19)16-17-25(18-21-8-4-2-5-9-21)23(26)24-22-10-6-3-7-11-22/h2-15H,16-18H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,15,24,14,16,23,25,13,17,22,26,3,7,4,6,8,9,11,2,5,12,21,18,20,10,19/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCCNCCCCCCCCSNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s10;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: | 13.0526 |
Area: | 594.3 |
Solvation: | -1.8049 |
Coulombic: | -24.2437 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.516 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.27 |
LogP (Chemaxon): | 6.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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