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Chemical ID: 5581081

CN1CCc2cc(c3cc2C1Cc4ccc(cc4O)Oc5cccc(c5)CC6c7c(cc(c(c7O3)OC)OC)CCN6C)OC

Chemical ID:

5581081

Name [?]:

None

SMILES [?]:

CN1CCc2cc(c3cc2C1Cc4ccc(cc4O)Oc5cccc(c5)CC6c7c(cc(c(c7O3)OC)OC)CCN6C)OC

InChi [?]:

InChI=1/C37H40N2O6/c1-38-13-11-23-18-32(41-3)33-21-28(23)29(38)17-24-9-10-27(20-31(24)40)44-26-8-6-7-22(15-26)16-30-35-25(12-14-39(30)2)19-34(42-4)36(43-5)37(35)45-33/h6-10,15,18-21,29-30,40H,11-14,16-17H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,43,45,39,37,23,24,22,14,15,4,40,3,41,26,27,12,6,31,17,9,25,5,13,30,21,16,10,11,28,18,7,8,32,29,33,34,2,42,19,44,38,36,20,35/rA:45cCNCCCCCCCCCCCCCCCCOOCCCCCCCCCCCCCCOOCOCCCNCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s20;s21;d22;s23;d24;d21s25;s25;s27;s28;s29;d30;s31;d32;d29s33;s8s34;s33;s36;s32;s38;s30;s40;s28s41;s42;s7;s44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₇H₄₀N₂O₆
All Atoms:	45
Heavy Atoms:	45
Chiral Atoms:	4

ZAP Information [?]

Total:	10.2677
Area:	720.688
Solvation:	-7.74948
Coulombic:	-65.0963

Bond Count [?]

All:	51
Single:	39
Double:	12
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	608.723
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	5.17
LogP (Chemaxon):	5.75

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

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Chemical Mix	Source	External ID	Descriptor	Value