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Chemical ID: 3891071

Cc1ccc(cc1)c2csc(n2)N(CCc3ccc(c(c3)OC)OC)C(=O)CCl

Chemical ID:

3891071

Name [?]:

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(p-tolyl)thiazol-2-yl]-acetamide

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)N(CCc3ccc(c(c3)OC)OC)C(=O)CCl

InChi [?]:

InChI=1/C22H23ClN2O3S/c1-15-4-7-17(8-5-15)18-14-29-22(24-18)25(21(26)13-23)11-10-16-6-9-19(27-2)20(12-16)28-3/h4-9,12,14H,10-11,13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,25,23,3,7,17,4,6,18,15,14,21,28,9,2,16,5,8,19,20,26,11,29,12,13,27,24,22,10/E:(4,5)(7,8)/rA:29nCCCCCCCCCSCNNCCCCCCCCOCOCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s13;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃ClN₂O₃S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4397
Area:	654.026
Solvation:	-5.91091
Coulombic:	-38.287

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	430.948
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.36
LogP (Chemaxon):	5.07

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