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Chemical ID: 7741759

COc1cccc(c1)N2CC(CC2=O)C(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4

Chemical ID:

7741759

Name [?]:

None

SMILES [?]:

COc1cccc(c1)N2CC(CC2=O)C(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4

InChi [?]:

InChI=1/C25H26N2O5/c1-31-19-6-4-5-18(14-19)27-16-17(13-23(27)29)24(30)26-11-9-25(10-12-26)15-21(28)20-7-2-3-8-22(20)32-25/h2-8,14,17H,9-13,15-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,29,5,6,4,27,30,19,21,18,22,12,8,23,10,11,7,3,26,24,31,13,15,20,17,9,25,14,16,2,32/E:(9,10)(11,12)/rA:32cCOCCCCCCNCCCCOCONCCCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s9s12;d13;s11;d15;s15;s17;s18;s19;s20;s17s21;s20;s23;d24;s24;s26;d27;s28;d29;d26s30;s20s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₅
All Atoms:	58
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	9.49985
Area:	636.371
Solvation:	-6.40943
Coulombic:	-52.8186

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.02
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