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Chemical ID: 4577149

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OCC(=O)N4CCC5(CCCCC5C4)O

Chemical ID:

4577149

Name [?]:

None

SMILES [?]:

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OCC(=O)N4CCC5(CCCCC5C4)O

InChi [?]:

InChI=1/C26H29NO6/c1-16-22(32-15-23(28)27-12-11-26(30)10-4-3-5-17(26)14-27)9-8-20-19-7-6-18(31-2)13-21(19)25(29)33-24(16)20/h6-9,13,17,30H,3-5,10-12,14-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,29,28,30,14,13,5,4,27,25,24,16,32,20,2,31,15,12,6,11,3,21,7,9,26,23,22,10,33,17,19,8/rA:33cCCCCCCCOCOCCCCCCOCOCCONCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6s11;d12;s13;d14;d11s15;s15;s17;s3;s19;s20;d21;s21;s23;s24;s25;s26;s27;s28;s29;s26s30;s23s31;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₉NO₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	2

ZAP Information [?]

Total:	8.80422
Area:	661.456
Solvation:	-7.73217
Coulombic:	-65.7524

Bond Count [?]

All:	37
Single:	29
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	451.512
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.95
LogP (Chemaxon):	2.74

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