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Chemical ID: 6182222

CCOc1cc(cc(c1OCC)OCC)C(=O)NCC(=O)NN=Cc2ccccc2OC

Chemical ID:

6182222

Name [?]:

3,4,5-triethoxy-N-[(2-methoxyphenyl)methyleneaminocarbamoylmethyl]benzamide

SMILES [?]:

CCOc1cc(cc(c1OCC)OCC)C(=O)NCC(=O)NN=Cc2ccccc2OC

InChi [?]:

InChI=1/C23H29N3O6/c1-5-30-19-12-17(13-20(31-6-2)22(19)32-7-3)23(28)24-15-21(27)26-25-14-16-10-8-9-11-18(16)29-4/h8-14H,5-7,15H2,1-4H3,(H,24,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,15,12,32,2,14,11,27,28,26,29,5,7,24,19,25,6,30,4,8,20,9,16,18,23,22,21,17,31,3,13,10/E:(1,2)(5,6)(12,13)(19,20)(30,31)/rA:32nCCOCCCCCCOCCOCCCONCCONNCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s13;s14;s6;d16;s16;s18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉N₃O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.93803
Area:	720.92
Solvation:	-9.08497
Coulombic:	-68.8506

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	14
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	443.493
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	3.69
LogP (Chemaxon):	2.18

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