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Chemical ID: 3860927

COCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccc4ccccc4c3

Chemical ID:

3860927

Name [?]:

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

SMILES [?]:

COCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccc4ccccc4c3

InChi [?]:

InChI=1/C26H26N2O5S/c1-30-13-12-28(25(29)16-33-21-9-8-18-6-4-5-7-19(18)14-21)26-27-23(17-34-26)22-15-20(31-2)10-11-24(22)32-3/h4-11,14-15,17H,12-13,16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,18,30,31,29,32,27,26,14,15,4,3,34,12,23,9,28,33,13,25,11,8,16,21,6,7,5,22,2,19,17,24,10/rA:34nCOCCNCNCCSCCCCCCOCOCCOCOCCCCCCCCCC/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;s28;d29;s30;d31;d28s32;d25s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆N₂O₅S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	8.29459
Area:	711.505
Solvation:	-9.49304
Coulombic:	-51.1622

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	478.561
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.56
LogP (Chemaxon):	4.32

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