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Chemical ID: 7709903

CCOC(=O)c1ccc(cc1)NC(=O)C2=C(Nc3nc(nn3C2c4ccc(cc4)OC)CCCO)C

Chemical ID:

7709903

Name [?]:

None

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)C2=C(Nc3nc(nn3C2c4ccc(cc4)OC)CCCO)C

InChi [?]:

InChI=1/C26H29N5O5/c1-4-36-25(34)18-7-11-19(12-8-18)28-24(33)22-16(2)27-26-29-21(6-5-15-32)30-31(26)23(22)17-9-13-20(35-3)14-10-17/h7-14,23,32H,4-6,15H2,1-3H3,(H,28,33)(H,27,29,30)

InChi Info:

AuxInfo=1/1/N:1,36,31,2,33,32,7,11,25,29,8,10,26,28,34,16,24,6,9,27,20,15,23,13,4,18,17,12,19,21,22,35,14,5,30,3/E:(7,8)(9,10)(11,12)(13,14)/rA:36cCCOCOCCCCCCNCOCCNCNCNNCCCCCCCOCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;d15;s16;s17;d18;s19;d20;s18s21;s15s22;s23;s24;d25;s26;d27;d24s28;s27;s30;s20;s32;s33;s34;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₉N₅O₅
All Atoms:	65
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	12.5577
Area:	751.228
Solvation:	-6.22303
Coulombic:	-87.8946

Bond Count [?]

All:	39
Single:	28
Double:	11
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.16
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

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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