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Chemical ID: 7703661

CCCCc1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4cccc(c4)C

Chemical ID:

7703661

Name [?]:

None

SMILES [?]:

CCCCc1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4cccc(c4)C

InChi [?]:

InChI=1/C31H30N2O4/c1-3-4-9-23-13-16-26(17-14-23)36-21-30(34)33-32-20-28-27-12-6-5-10-24(27)15-18-29(28)37-31(35)25-11-7-8-22(2)19-25/h5-8,10-20H,3-4,9,21H2,1-2H3,(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,37,2,3,22,21,33,34,4,23,32,20,6,10,25,7,9,26,36,17,12,35,5,24,31,8,19,18,27,13,29,16,15,14,30,11,28/E:(13,14)(16,17)/rA:37nCCCCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;s28;d29;s29;s31;d32;s33;d34;d31s35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₀N₂O₄
All Atoms:	67
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	12.5363
Area:	763.9
Solvation:	-6.56124
Coulombic:	-48.1378

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	8.92
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