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Chemical ID: 4829074

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCOC)O)OCc4ccccc4

Chemical ID:

4829074

Name [?]:

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

SMILES [?]:

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCOC)O)OCc4ccccc4

InChi [?]:

InChI=1/C29H29NO7/c1-18-15-21(37-17-19-7-5-4-6-8-19)10-11-22(18)27(32)25-26(20-9-12-23(31)24(16-20)36-3)30(13-14-35-2)29(34)28(25)33/h4-12,15-16,26,31,33H,13-14,17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,28,23,35,34,36,33,37,17,5,6,18,25,26,3,21,31,2,32,16,4,7,19,20,10,15,8,11,12,14,24,9,29,13,27,22,30/E:(5,6)(7,8)/rA:37cCCCCCCCCOCCCONCCCCCCCOCOCCOCOOCCCCCCC/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;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₉NO₇
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	10.4988
Area:	749.73
Solvation:	-8.24444
Coulombic:	-83.2831

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	503.543
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	4.58
LogP (Chemaxon):	3.51

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