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Chemical ID: 7072073
Chemical ID:
7072073
Name [?]:
3-hydroxy-5-(4-methoxyphenyl)-4-[4-(o-tolylmethoxy)benzoyl]-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccccc1COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccc(cc4)OC)Cc5ccncc5)O
InChi [?]:
InChI=1/C32H28N2O5/c1-21-5-3-4-6-25(21)20-39-27-13-9-24(10-14-27)30(35)28-29(23-7-11-26(38-2)12-8-23)34(32(37)31(28)36)19-22-15-17-33-18-16-22/h3-18,29,36H,19-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,4,5,3,6,25,29,12,14,26,28,11,15,34,38,35,37,32,8,2,33,24,13,7,27,10,18,23,16,19,20,36,22,17,39,21,30,9/E:(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:39cCCCCCCCCOCCCCCCCOCCCONCCCCCCCOCCCCCNCCO/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;s27;s30;s22;s32;s33;d34;s35;d36;d33s37;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H28N2O5 |
All Atoms: | 67 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2439 |
Area: | 784.418 |
Solvation: | -7.36656 |
Coulombic: | -63.6706 |
Bond Count [?]
All: | 43 |
Single: | 28 |
Double: | 15 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 520.575 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.63 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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