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Chemical ID: 7710400

CC1=C(C(n2c(nc(n2)c3cc(cc(c3)OC)OC)N1)c4ccccc4OC)C(=O)Nc5cccnc5

Chemical ID:

7710400

Name [?]:

None

SMILES [?]:

CC1=C(C(n2c(nc(n2)c3cc(cc(c3)OC)OC)N1)c4ccccc4OC)C(=O)Nc5cccnc5

InChi [?]:

InChI=1/C27H26N6O4/c1-16-23(26(34)30-18-8-7-11-28-15-18)24(21-9-5-6-10-22(21)37-4)33-27(29-16)31-25(32-33)17-12-19(35-2)14-20(13-17)36-3/h5-15,24H,1-4H3,(H,30,34)(H,29,31,32)

InChi Info:

AuxInfo=1/1/N:1,17,19,28,23,24,34,33,22,25,35,15,11,13,37,2,10,32,14,12,21,26,3,4,8,29,6,36,20,31,7,9,5,30,16,18,27/E:(2,3)(12,13)(19,20)(35,36)/rA:37cCCCCNCNCNCCCCCCOCOCNCCCCCCOCCONCCCCNC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s14;s16;s12;s18;s2s6;s4;s21;d22;s23;d24;d21s25;s26;s27;s3;d29;s29;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆N₆O₄
All Atoms:	63
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	10.8673
Area:	718.009
Solvation:	-7.08297
Coulombic:	-71.1917

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.61
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