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Chemical ID: 5585146

c1cc2c(cc1C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)nc5n(c2=O)CCCCC5

Chemical ID:

5585146

Name [?]:

None

SMILES [?]:

c1cc2c(cc1C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)nc5n(c2=O)CCCCC5

InChi [?]:

InChI=1/C24H23N3O6/c28-22(25-16-6-8-19-20(13-16)32-11-10-31-19)14-33-24(30)15-5-7-17-18(12-15)26-21-4-2-1-3-9-27(21)23(17)29/h5-8,12-13H,1-4,9-11,14H2,(H,25,28)

InChi Info:

AuxInfo=1/1/N:31,32,30,33,1,15,2,16,29,22,21,5,19,10,6,14,3,4,17,18,25,11,27,7,13,24,26,12,28,8,23,20,9/rA:33nCCCCCCCOOCCONCCCCCCOCCONCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;s17s22;s4;d24;s25;s3s26;d27;s26;s29;s30;s31;s25s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9323
Area:	667.333
Solvation:	-5.75104
Coulombic:	-77.3366

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	449.456
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.06
LogP (Chemaxon):	2.05

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