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Chemical ID: 3861010

Cc1cccc(c1)C(=O)N(CCCN2CCOCC2)c3nc(cs3)c4cc(ccc4OC)OC

Chemical ID:

3861010

Name [?]:

N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-3-methyl-N-(3-morpholinopropyl)benzamide

SMILES [?]:

Cc1cccc(c1)C(=O)N(CCCN2CCOCC2)c3nc(cs3)c4cc(ccc4OC)OC

InChi [?]:

InChI=1/C26H31N3O4S/c1-19-6-4-7-20(16-19)25(30)29(11-5-10-28-12-14-33-15-13-28)26-27-23(18-34-26)22-17-21(31-2)8-9-24(22)32-3/h4,6-9,16-18H,5,10-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,34,32,4,12,3,5,28,29,13,11,15,19,16,18,7,26,23,2,6,27,25,22,30,8,20,21,14,10,9,33,31,17,24/E:(12,13)(14,15)/rA:34nCCCCCCCCONCCCNCCOCCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s10;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;s30;s31;s27;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₁N₃O₄S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1871
Area:	710.925
Solvation:	-6.58599
Coulombic:	-50.8889

Bond Count [?]

All:	37
Single:	28
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	481.608
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.05
LogP (Chemaxon):	3.87

Name Annotations

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

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