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Chemical ID: 6175383

Cc1ccc(cc1)CN(Cc2cccnc2)C(=S)Nc3cccc(c3)OC

Chemical ID:

6175383

Name [?]:

3-(3-methoxyphenyl)-1-(p-tolylmethyl)-1-(3-pyridylmethyl)thiourea

SMILES [?]:

Cc1ccc(cc1)CN(Cc2cccnc2)C(=S)Nc3cccc(c3)OC

InChi [?]:

InChI=1/C22H23N3OS/c1-17-8-10-18(11-9-17)15-25(16-19-5-4-12-23-14-19)22(27)24-20-6-3-7-21(13-20)26-2/h3-14H,15-16H2,1-2H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,27,22,13,12,21,23,3,7,4,6,14,25,16,8,10,2,5,11,20,24,17,15,19,9,26,18/E:(8,9)(10,11)/rA:27nCCCCCCCCNCCCCCNCCSNCCCCCCOC/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:	C₂₂H₂₃N₃OS
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.994
Area:	592.51
Solvation:	-3.8188
Coulombic:	-33.0334

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	377.504
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.77
LogP (Chemaxon):	4.78

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