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Chemical ID: 6175345

Cc1ccc(cc1)CN(Cc2ccccc2)C(=S)Nc3cccc(c3)OC

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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