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Chemical ID: 4569073

c1ccc(cc1)COC(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)Oc4ccc5c(c4)oc(=O)c6c5CCC6

Chemical ID:

4569073

Name [?]:

None

SMILES [?]:

c1ccc(cc1)COC(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)Oc4ccc5c(c4)oc(=O)c6c5CCC6

InChi [?]:

InChI=1/C31H26N2O6/c34-29-25-11-6-10-23(25)24-14-13-21(16-28(24)39-29)38-30(35)27(15-20-17-32-26-12-5-4-9-22(20)26)33-31(36)37-18-19-7-2-1-3-8-19/h1-5,7-9,12-14,16-17,27,32H,6,10-11,15,18H2,(H,33,36)

InChi Info:

AuxInfo=1/1/N:1,2,6,20,21,38,3,5,19,37,39,22,27,28,13,31,15,7,4,14,26,18,36,29,35,17,12,30,33,23,9,16,11,34,24,10,8,25,32/E:(2,3)(7,8)/rA:39cCCCCCCCOCONCCCCNCCCCCCCOOCCCCCCOCOCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s12;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s32;d33;s33;s29d35;s36;s37;s35s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₆N₂O₆
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	1

ZAP Information [?]

Total:	14.5131
Area:	769.831
Solvation:	-4.73265
Coulombic:	-83.9322

Bond Count [?]

All:	44
Single:	30
Double:	14
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	522.548
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.17
LogP (Chemaxon):	6.39

Name Annotations

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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