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Chemical ID: 4195039

Chemical ID:

4195039

Name [?]:

N,N-diethyl-N'-[4-(4-methoxyphenyl)thiazol-2-yl]-benzene-1,4-diamine

SMILES [?]:

CCN(CC)c1ccc(cc1)Nc2nc(cs2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C20H23N3OS/c1-4-23(5-2)17-10-8-16(9-11-17)21-20-22-19(14-25-20)15-6-12-18(24-3)13-7-15/h6-14H,4-5H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,5,25,2,4,19,23,8,10,7,11,20,22,16,18,9,6,21,15,13,12,14,3,24,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCCNCCCCCCCCNCNCCSCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃N₃OS
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.316
Area:	581.245
Solvation:	-3.21516
Coulombic:	-32.4093

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	353.482
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.04
LogP (Chemaxon):	5.34

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

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Chemical Mix	Source	External ID	Descriptor	Value