Chemical ID: 7024597

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)Cc4ccco4)O
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

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Descriptor Annotations

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