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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value