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Chemical ID: 6032916

COCCN(CC(=O)Nc1nc(cs1)CC(=O)N2CCOCC2)C(=O)c3ccc(cc3)OC

Chemical ID:

6032916

Name [?]:

4-methoxy-N-(2-methoxyethyl)-N-[[4-(morpholinocarbonylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide

SMILES [?]:

COCCN(CC(=O)Nc1nc(cs1)CC(=O)N2CCOCC2)C(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C22H28N4O6S/c1-30-10-7-26(21(29)16-3-5-18(31-2)6-4-16)14-19(27)24-22-23-17(15-33-22)13-20(28)25-8-11-32-12-9-25/h3-6,15H,7-14H2,1-2H3,(H,23,24,27)

InChi Info:

AuxInfo=1/1/N:1,33,27,31,28,30,4,19,23,3,20,22,15,6,13,26,12,29,7,16,24,10,11,9,18,5,8,17,25,2,32,21,14/E:(3,4)(5,6)(8,9)(11,12)/rA:33nCOCCNCCONCNCCSCCONCCOCCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;s21;s18s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₄O₆S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	7.21425
Area:	712.038
Solvation:	-10.5867
Coulombic:	-77.2538

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	476.547
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	-0.11
LogP (Chemaxon):	0.43

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

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

Chemical Mix	Source	External ID	Descriptor	Value