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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

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value