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Chemical ID: 6828789

CCc1ccc(cc1)NC(=S)N(Cc2ccc(cc2)C)Cc3cccnc3

Chemical ID:

6828789

Name [?]:

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

SMILES [?]:

CCc1ccc(cc1)NC(=S)N(Cc2ccc(cc2)C)Cc3cccnc3

InChi [?]:

InChI=1/C23H25N3S/c1-3-19-10-12-22(13-11-19)25-23(27)26(17-21-5-4-14-24-15-21)16-20-8-6-18(2)7-9-20/h4-15H,3,16-17H2,1-2H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,20,2,24,23,16,18,15,19,4,8,5,7,25,27,13,21,17,3,14,22,6,10,26,9,12,11/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCNCSNCCCCCCCCCCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s12;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃S
All Atoms:	52
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6737
Area:	606.068
Solvation:	-2.47799
Coulombic:	-26.9854

Bond Count [?]

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

Chemical Properties

Molecular Weight:	375.531
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.76
LogP (Chemaxon):	5.9

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