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Chemical ID: 7020931

COc1ccc(cc1OC)C=NNC(=O)CCCCCNC(=O)c2cc(c(c(c2)OC)OC)OC

Chemical ID:

7020931

Name [?]:

N-[5-[(3,4-dimethoxyphenyl)methyleneaminocarbamoyl]pentyl]-3,4,5-trimethoxy-benzamide

SMILES [?]:

COc1ccc(cc1OC)C=NNC(=O)CCCCCNC(=O)c2cc(c(c(c2)OC)OC)OC

InChi [?]:

InChI=1/C25H33N3O7/c1-31-19-11-10-17(13-20(19)32-2)16-27-28-23(29)9-7-6-8-12-26-25(30)18-14-21(33-3)24(35-5)22(15-18)34-4/h10-11,13-16H,6-9,12H2,1-5H3,(H,26,30)(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,10,31,35,33,18,17,19,16,5,4,20,7,29,25,11,6,24,3,8,28,26,14,27,22,21,12,13,15,23,2,9,30,34,32/E:(3,4)(14,15)(21,22)(33,34)/rA:35nCOCCCCCCOCCNNCOCCCCCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s26;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₃N₃O₇
All Atoms:	68
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	7.56886
Area:	809.116
Solvation:	-12.6591
Coulombic:	-73.0914

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	16
Chiral:	1
Rigid Segments:	13

Chemical Properties

Molecular Weight:	487.546
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	3.3
LogP (Chemaxon):	2.13

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