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Chemical ID: 4401289

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCOC)O)OC

Chemical ID:

4401289

Name [?]:

3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-methoxyethyl)-4-(4-methoxy-2-methyl-benzoyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCOC)O)OC

InChi [?]:

InChI=1/C23H25NO7/c1-13-11-15(30-3)6-7-16(13)21(26)19-20(14-5-8-17(25)18(12-14)31-4)24(9-10-29-2)23(28)22(19)27/h5-8,11-12,20,25,27H,9-10H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,28,31,23,17,5,6,18,25,26,3,21,2,16,4,7,19,20,10,15,8,11,12,14,24,9,29,13,27,30,22/rA:31cCCCCCCCCOCCCONCCCCCCCOCOCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s14;s25;s26;s27;s11;s4;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅NO₇
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	7.97342
Area:	635.825
Solvation:	-7.9222
Coulombic:	-81.1815

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	427.447
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.87
LogP (Chemaxon):	1.74

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