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Chemical ID: 3860913

COCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccccc3

Chemical ID:

3860913

Name [?]:

N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxy-acetamide

SMILES [?]:

COCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccccc3

InChi [?]:

InChI=1/C22H24N2O5S/c1-26-12-11-24(21(25)14-29-16-7-5-4-6-8-16)22-23-19(15-30-22)18-13-17(27-2)9-10-20(18)28-3/h4-10,13,15H,11-12,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,18,28,27,29,26,30,14,15,4,3,12,23,9,25,13,11,8,16,21,6,7,5,22,2,19,17,24,10/E:(5,6)(7,8)/rA:30nCOCCNCNCCSCCCCCCOCOCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;s5;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₂O₅S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	7.01116
Area:	653.35
Solvation:	-9.32261
Coulombic:	-50.5474

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	428.502
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.29
LogP (Chemaxon):	3.32

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