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Chemical ID: 7690128

CC(C)Oc1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4cn(nc4c5ccccc5)CC(=O)N)C#N)N

Chemical ID:

7690128

Name [?]:

None

SMILES [?]:

CC(C)Oc1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4cn(nc4c5ccccc5)CC(=O)N)C#N)N

InChi [?]:

InChI=1/C27H25N7O3/c1-15(2)36-18-10-8-17(9-11-18)25-23-22(19(12-28)26(30)37-27(23)32-31-25)20-13-34(14-21(29)35)33-24(20)16-6-4-3-5-7-16/h3-11,13,15,22H,14,30H2,1-2H3,(H2,29,35)(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,3,28,27,29,26,30,7,9,6,10,35,21,31,2,25,8,5,18,20,32,19,12,24,11,17,13,36,34,37,15,14,23,22,33,4,16/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:37cCCCOCCCCCCCCCNNOCCCCCNNCCCCCCCCCONCNN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d11s14;s13;s16;d17;s12s18;s19;d20;s21;s22;s20d23;s24;s25;d26;s27;d28;d25s29;s22;s31;d32;s32;s18;t35;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅N₇O₃
All Atoms:	62
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	9.89961
Area:	681.943
Solvation:	-7.14895
Coulombic:	-73.3771

Bond Count [?]

All:	41
Single:	28
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.13
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