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Chemical ID: 7150961

Cc1cc(ccc1C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cc(c(c(c4)OC)OC)OC)O)OC

Chemical ID:

7150961

Name [?]:

4-[hydroxy-(4-methoxy-2-methyl-phenyl)-methylene]-1-(1H-pyridin-5-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2,3-dione

SMILES [?]:

Cc1cc(ccc1C(=C2C(N(C(=O)C2=O)Cc3ccc[nH+]c3)c4cc(c(c(c4)OC)OC)OC)O)OC

InChi [?]:

InChI=1/C28H28N2O7/c1-16-11-19(34-2)8-9-20(16)25(31)23-24(18-12-21(35-3)27(37-5)22(13-18)36-4)30(28(33)26(23)32)15-17-7-6-10-29-14-17/h6-14,24,31H,15H2,1-5H3/p+1

InChi Info:

AuxInfo=1/1/N:1,37,30,34,32,19,18,5,6,20,3,28,24,22,16,2,17,23,4,7,27,25,9,10,8,14,26,12,21,11,35,15,13,36,29,33,31/E:(3,4)(12,13)(21,22)(35,36)/rA:37cCCCCCCCCCCNCOCOCCCCCN+CCCCCCCOCOCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;s11;d12;s9s12;d14;s11;s16;s17;d18;s19;d20;d17s21;s10;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s25;s33;s8;s4;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₉N₂O₇₊
All Atoms:	66
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	-28.0745
Area:	709.094
Solvation:	-45.8019
Coulombic:	-58.155

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	505.539
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.71
LogP (Chemaxon):	1.34

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