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Chemical ID: 7060429
Chemical ID:
7060429
Name [?]:
3-hydroxy-1-phenethyl-5-(3-pyridyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)CCN2C(C(=C(C2=O)O)C(=O)c3ccncc3)c4cccnc4
InChi [?]:
InChI=1/C23H19N3O3/c27-21(17-8-12-24-13-9-17)19-20(18-7-4-11-25-15-18)26(23(29)22(19)28)14-10-16-5-2-1-3-6-16/h1-9,11-13,15,20,28H,10,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,26,3,5,25,19,23,7,27,20,22,8,29,4,18,24,11,10,16,12,13,21,28,9,17,15,14/E:(2,3)(5,6)(8,9)(12,13)/rA:29cCCCCCCCCNCCCCOOCOCCCNCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s9s12;d13;s12;s11;d16;s16;s18;d19;s20;d21;d18s22;s10;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19N3O3 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.65944 |
Area: | 597.891 |
Solvation: | -5.28783 |
Coulombic: | -51.8038 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.56 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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