Chemical ID: 7024660

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)Cc4ccco4)O
Chemical ID:
7024660
Name [?]:
5-(3,4-dichlorophenyl)-1-(2-furylmethyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)Cc4ccco4)O
InChi [?]:
InChI=1/C23H17Cl2NO4/c1-13-4-6-14(7-5-13)21(27)19-20(15-8-9-17(24)18(25)11-15)26(23(29)22(19)28)12-16-3-2-10-30-16/h2-11,20,28H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,3,7,4,6,17,18,28,21,24,2,5,16,25,19,20,10,15,8,11,12,23,22,14,9,30,13,29/E:(4,5)(6,7)/rA:30cCCCCCCCCOCCCONCCCCCCCClClCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s19;s14;s24;d25;s26;d27;s25s28;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17Cl2NO4
All Atoms:47
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.7983
Area:648.747
Solvation:-5.42034
Coulombic:-50.7815
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:442.291
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.29
LogP (Chemaxon):4.45

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Descriptor Annotations

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