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Chemical ID: 7060300
Chemical ID:
7060300
Name [?]:
3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1cc(ccc1O)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)c4ccncc4
InChi [?]:
InChI=1/C23H19N3O5/c1-31-18-11-16(4-5-17(18)27)20-19(21(28)15-6-9-24-10-7-15)22(29)23(30)26(20)13-14-3-2-8-25-12-14/h2-12,20,27,29H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,6,7,27,31,20,28,30,4,22,16,17,26,5,8,3,11,10,24,12,13,29,21,15,9,25,23,14,2/E:(6,7)(9,10)/rA:31cCOCCCCCCOCCCCONCCCCCNCOCOCCCNCC/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: | C23H19N3O5 |
All Atoms: | 50 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.56338 |
Area: | 621.593 |
Solvation: | -7.97645 |
Coulombic: | -73.1272 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.91 |
LogP (Chemaxon): | None |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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