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Chemical ID: 7694302

Cc1cccc(c1)NC(=O)COc2ccccc2C=C3C(=NN(C3=O)c4ccc(cc4)C#N)C

Chemical ID:

7694302

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)NC(=O)COc2ccccc2C=C3C(=NN(C3=O)c4ccc(cc4)C#N)C

InChi [?]:

InChI=1/C27H22N4O3/c1-18-6-5-8-22(14-18)29-26(32)17-34-25-9-4-3-7-21(25)15-24-19(2)30-31(27(24)33)23-12-10-20(16-28)11-13-23/h3-15H,17H2,1-2H3,(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,34,16,15,4,3,17,5,14,28,30,27,31,7,19,32,11,2,21,29,18,6,26,20,13,9,24,33,8,22,23,10,25,12/E:(10,11)(12,13)/rA:34nCCCCCCCNCOCOCCCCCCCCCNNCOCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;w19;s20;d21;s22;s20s23;d24;s23;s26;d27;s28;d29;d26s30;s29;t32;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂N₄O₃
All Atoms:	56
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	12.7119
Area:	719.305
Solvation:	-5.27069
Coulombic:	-48.9215

Bond Count [?]

All:	37
Single:	23
Double:	13
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.58
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