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Chemical ID: 4334404
Chemical ID:
4334404
Name [?]:
4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccccc4
InChi [?]:
InChI=1/C24H20N2O5/c1-31-19-12-17(9-10-18(19)27)21-20(22(28)16-7-3-2-4-8-16)23(29)24(30)26(21)14-15-6-5-11-25-13-15/h2-13,21,27,29H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,19,18,27,31,6,7,20,4,22,16,17,26,5,8,3,11,10,24,12,13,21,15,9,25,23,14,2/E:(3,4)(7,8)/rA:31cCOCCCCCCOCCCCONCCCCCNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.34264 |
Area: | 622.997 |
Solvation: | -7.2323 |
Coulombic: | -70.8893 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 416.426 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.17 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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