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Chemical ID: 7692985

c1ccc(cc1)N2C3=C(C(=O)CCC3)C4(c5ccccc5NC4=O)C(=C2n6cccc6)C#N

Chemical ID:

7692985

Name [?]:

None

SMILES [?]:

c1ccc(cc1)N2C3=C(C(=O)CCC3)C4(c5ccccc5NC4=O)C(=C2n6cccc6)C#N

InChi [?]:

InChI=1/C27H20N4O2/c28-17-20-25(30-15-6-7-16-30)31(18-9-2-1-3-10-18)22-13-8-14-23(32)24(22)27(20)19-11-4-5-12-21(19)29-26(27)33/h1-7,9-12,15-16H,8,13-14H2,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,19,29,30,13,3,5,17,20,14,12,28,31,32,4,16,25,21,8,10,9,26,23,15,33,22,27,7,11,24/E:(2,3)(6,7)(9,10)(15,16)/rA:33cCCCCCCNCCCOCCCCCCCCCCNCOCCNCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s12;s8s13;s9;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s15;s7d25;s26;s27;d28;s29;s27d30;s25;t32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₀N₄O₂
All Atoms:	53
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7694
Area:	581.985
Solvation:	-3.78021
Coulombic:	-43.1234

Bond Count [?]

All:	38
Single:	25
Double:	12
Rotors:	2
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