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Chemical ID: 7432821

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(=O)OC)CCCN5CCOCC5

Chemical ID:

7432821

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(=O)OC)CCCN5CCOCC5

InChi [?]:

InChI=1/C27H28N2O6/c1-17-4-9-21-20(16-17)24(30)22-23(18-5-7-19(8-6-18)27(32)33-2)29(26(31)25(22)35-21)11-3-10-28-12-14-34-15-13-28/h4-9,16,23H,3,10-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,26,28,3,18,22,19,21,4,29,27,31,35,32,34,7,2,17,20,6,5,10,16,8,11,13,23,30,15,9,14,24,25,33,12/E:(5,6)(7,8)(12,13)(14,15)/rA:35cCCCCCCCCOCCOCONCCCCCCCCOOCCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s15;s27;s28;s29;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₈N₂O₆
All Atoms:	63
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2352
Area:	723.617
Solvation:	-5.85525
Coulombic:	-67.7264

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	476.521
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.6
LogP (Chemaxon):	2.36

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