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Chemical ID: 4570627

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)C(Cc4c[nH]c5c4cccc5)NC(=O)OCc6ccccc6

Chemical ID:

4570627

Name [?]:

None

SMILES [?]:

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)C(Cc4c[nH]c5c4cccc5)NC(=O)OCc6ccccc6

InChi [?]:

InChI=1/C34H28N2O7/c1-20-30(15-14-26-25-13-12-23(40-2)17-27(25)32(37)43-31(20)26)42-33(38)29(16-22-18-35-28-11-7-6-10-24(22)28)36-34(39)41-19-21-8-4-3-5-9-21/h3-15,17-18,29,35H,16,19H2,1-2H3,(H,36,39)

InChi Info:

AuxInfo=1/1/N:1,18,41,40,42,30,31,39,43,29,32,14,13,5,4,23,16,25,37,2,38,24,15,28,12,6,11,27,22,3,7,9,20,34,26,33,10,21,35,17,36,19,8/E:(4,5)(8,9)/rA:43cCCCCCCCOCOCCCCCCOCOCOCCCCNCCCCCCNCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6s11;d12;s13;d14;d11s15;s15;s17;s3;s19;d20;s20;s22;s23;d24;s25;s26;s24s27;d28;s29;d30;d27s31;s22;s33;d34;s34;s36;s37;s38;d39;s40;d41;d38s42;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₄H₂₈N₂O₇
All Atoms:	43
Heavy Atoms:	43
Chiral Atoms:	1

ZAP Information [?]

Total:	13.7639
Area:	797.266
Solvation:	-6.16778
Coulombic:	-91.2453

Bond Count [?]

All:	48
Single:	32
Double:	16
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	576.595
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.46
LogP (Chemaxon):	6.78

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value