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Chemical ID: 4794166

Cc1ccccc1COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)O)Cc5ccncc5)O

Chemical ID:

4794166

Name [?]:

3-hydroxy-5-(3-hydroxyphenyl)-4-[4-(o-tolylmethoxy)benzoyl]-1-(4-pyridylmethyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1ccccc1COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)O)Cc5ccncc5)O

InChi [?]:

InChI=1/C31H26N2O5/c1-20-5-2-3-6-24(20)19-38-26-11-9-22(10-12-26)29(35)27-28(23-7-4-8-25(34)17-23)33(31(37)30(27)36)18-21-13-15-32-16-14-21/h2-17,28,34,36H,18-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,4,5,26,3,6,25,27,12,14,11,15,33,37,34,36,29,31,8,2,32,13,24,7,28,10,18,23,16,19,20,35,22,30,17,38,21,9/E:(9,10)(11,12)(13,14)(15,16)/rA:38cCCCCCCCCOCCCCCCCOCCCONCCCCCCCOCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;d18;s19;d20;s20;s18s22;s23;s24;d25;s26;d27;d24s28;s28;s22;s31;s32;d33;s34;d35;d32s36;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₆N₂O₅
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1524
Area:	763.105
Solvation:	-6.92517
Coulombic:	-72.4079

Bond Count [?]

All:	42
Single:	27
Double:	15
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	506.549
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.31
LogP (Chemaxon):	3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value