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Chemical ID: 7733258

CCOC(=O)Cn1c(=O)c2c(nc3n2CC(CN3c4ccc(cc4)Oc5ccccc5)C)n(c1=O)C

Chemical ID:

7733258

Name [?]:

None

SMILES [?]:

CCOC(=O)Cn1c(=O)c2c(nc3n2CC(CN3c4ccc(cc4)Oc5ccccc5)C)n(c1=O)C

InChi [?]:

InChI=1/C26H27N5O5/c1-4-35-21(32)16-31-24(33)22-23(28(3)26(31)34)27-25-29(14-17(2)15-30(22)25)18-10-12-20(13-11-18)36-19-8-6-5-7-9-19/h5-13,17H,4,14-16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,32,36,2,29,28,30,27,31,20,24,21,23,17,15,6,16,19,26,22,4,10,11,8,13,34,12,33,18,14,7,5,9,35,3,25/E:(6,7)(8,9)(10,11)(12,13)/rA:36cCCOCOCNCOCCNCNCCCNCCCCCCOCCCCCCCNCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;d10;s11;d12;s10s13;s14;s15;s16;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;d27;s28;d29;d26s30;s16;s11;s7s33;d34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇N₅O₅
All Atoms:	63
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	13.402
Area:	714.617
Solvation:	-4.46344
Coulombic:	-82.5936

Bond Count [?]

All:	40
Single:	29
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.94
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