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Chemical ID: 6182755

CCOc1cc(cc(c1OCC)OCC)C(=O)NCC(=O)NN=Cc2cccc(c2OC)OC

Chemical ID:

6182755

Name [?]:

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

SMILES [?]:

CCOc1cc(cc(c1OCC)OCC)C(=O)NCC(=O)NN=Cc2cccc(c2OC)OC

InChi [?]:

InChI=1/C24H31N3O7/c1-6-32-19-12-17(13-20(33-7-2)23(19)34-8-3)24(29)25-15-21(28)27-26-14-16-10-9-11-18(30-4)22(16)31-5/h9-14H,6-8,15H2,1-5H3,(H,25,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,15,12,34,32,2,14,11,27,26,28,5,7,24,19,25,6,29,4,8,20,30,9,16,18,23,22,21,17,33,31,3,13,10/E:(1,2)(6,7)(12,13)(19,20)(32,33)/rA:34nCCOCCCCCCOCCOCCCONCCONNCCCCCCCOCOC/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;s29;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₃O₇
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	8.22198
Area:	758.786
Solvation:	-10.7477
Coulombic:	-75.4352

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	15
Chiral:	1
Rigid Segments:	11

Chemical Properties

Molecular Weight:	473.519
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	3.34
LogP (Chemaxon):	1.93

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