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Chemical ID: 7024597
Chemical ID:
7024597
Name [?]:
5-(3-chlorophenyl)-4-(4-ethoxybenzoyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)Cc4ccco4)O
InChi [?]:
InChI=1/C24H20ClNO5/c1-2-30-18-10-8-15(9-11-18)22(27)20-21(16-5-3-6-17(25)13-16)26(24(29)23(20)28)14-19-7-4-12-31-19/h3-13,21,28H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,28,19,21,27,6,8,5,9,29,23,25,7,18,22,4,26,12,17,10,13,14,24,16,11,31,15,3,30/E:(8,9)(10,11)/rA:31cCCOCCCCCCCOCCCONCCCCCCCClCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;d26;s27;d28;s26s29;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClNO5 |
All Atoms: | 51 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0671 |
Area: | 662.042 |
Solvation: | -6.4839 |
Coulombic: | -57.403 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 437.872 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.57 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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