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Chemical ID: 7019130
Chemical ID:
7019130
Name [?]:
4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)Cc4cccnc4)O)C
InChi [?]:
InChI=1/C26H24N2O4/c1-16-6-7-17(2)21(13-16)24(29)22-23(19-8-10-20(32-3)11-9-19)28(26(31)25(22)30)15-18-5-4-12-27-14-18/h4-14,23,30H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,23,27,26,3,4,17,21,18,20,28,7,30,24,2,5,25,16,19,6,10,15,8,11,12,29,14,9,31,13,22/E:(8,9)(10,11)/rA:32cCCCCCCCCOCCCONCCCCCCCOCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s14;s24;s25;d26;s27;d28;d25s29;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O4 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.30336 |
Area: | 611.27 |
Solvation: | -5.97839 |
Coulombic: | -55.1666 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 428.48 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.45 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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