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Chemical ID: 4208645

Chemical ID:

4208645

Name [?]:

3-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea

SMILES [?]:

COc1ccc(cc1)CNC(=S)Nc2cccc(c2)OC

InChi [?]:

InChI=1/C16H18N2O2S/c1-19-14-8-6-12(7-9-14)11-17-16(21)18-13-4-3-5-15(10-13)20-2/h3-10H,11H2,1-2H3,(H2,17,18,21)

InChi Info:

AuxInfo=1/1/N:1,21,16,15,17,5,7,4,8,19,9,6,14,3,18,11,10,13,2,20,12/E:(6,7)(8,9)/rA:21nCOCCCCCCCNCSNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈N₂O₂S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.92253
Area:	514.174
Solvation:	-3.93182
Coulombic:	-39.9712

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	302.392
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.23
LogP (Chemaxon):	3.35

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value