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Chemical ID: 6317457

Cc1ccc(cc1)CN(Cc2ccncc2)C(=S)NCCc3ccccc3

Chemical ID:

6317457

Name [?]:

3-phenethyl-1-(p-tolylmethyl)-1-(4-pyridylmethyl)thiourea

SMILES [?]:

Cc1ccc(cc1)CN(Cc2ccncc2)C(=S)NCCc3ccccc3

InChi [?]:

InChI=1/C23H25N3S/c1-19-7-9-21(10-8-19)17-26(18-22-11-14-24-15-12-22)23(27)25-16-13-20-5-3-2-4-6-20/h2-12,14-15H,13,16-18H2,1H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,3,7,4,6,12,16,21,13,15,20,8,10,2,22,5,11,17,14,19,9,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:27nCCCCCCCCNCCCCNCCCSNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;s17;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8235
Area:	618.638
Solvation:	-2.64246
Coulombic:	-27.7407

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	375.531
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.16
LogP (Chemaxon):	4.91

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