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Chemical ID: 3860939

COCCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccc(cc3)Cl

Chemical ID:

3860939

Name [?]:

2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-methoxypropyl)acetamide

SMILES [?]:

COCCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccc(cc3)Cl

InChi [?]:

InChI=1/C23H25ClN2O5S/c1-28-12-4-11-26(22(27)14-31-17-7-5-16(24)6-8-17)23-25-20(15-32-23)19-13-18(29-2)9-10-21(19)30-3/h5-10,13,15H,4,11-12,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,19,4,28,30,27,31,15,16,5,3,13,24,10,29,26,14,12,9,17,22,7,32,8,6,23,2,20,18,25,11/E:(5,6)(7,8)/rA:32nCOCCCNCNCCSCCCCCCOCOCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s17;s18;s14;s20;s6;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅ClN₂O₅S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	7.95111
Area:	725.381
Solvation:	-10.1834
Coulombic:	-49.3086

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	476.974
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.27
LogP (Chemaxon):	3.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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