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Chemical ID: 7692487

Cc1cccc(c1)NC(=O)COc2ccc(cc2OC)C=C3C(=NN(C3=O)c4ccc(cc4)C(=O)O)C

Chemical ID:

7692487

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)NC(=O)COc2ccc(cc2OC)C=C3C(=NN(C3=O)c4ccc(cc4)C(=O)O)C

InChi [?]:

InChI=1/C28H25N3O6/c1-17-5-4-6-21(13-17)29-26(32)16-37-24-12-7-19(15-25(24)36-3)14-23-18(2)30-31(27(23)33)22-10-8-20(9-11-22)28(34)35/h4-15H,16H2,1-3H3,(H,29,32)(H,34,35)

InChi Info:

AuxInfo=1/1/N:1,37,20,4,3,5,15,30,32,29,33,14,7,21,17,11,2,23,16,31,6,28,22,13,18,9,26,34,8,24,25,10,27,35,36,19,12/E:(8,9)(10,11)(34,35)/rA:37nCCCCCCCNCOCOCCCCCCOCCCCNNCOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;w21;s22;d23;s24;s22s25;d26;s25;s28;d29;s30;d31;d28s32;s31;d34;s34;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₅N₃O₆
All Atoms:	62
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6345
Area:	763.76
Solvation:	-8.45952
Coulombic:	-78.06

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.12
LogP (Chemaxon):	None

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