Chemical ID: 7034914

CCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)Cl
Chemical ID:
7034914
Name [?]:
4-(4-chlorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C25H22ClNO5/c1-2-12-31-19-6-3-5-17(14-19)22-21(23(28)16-8-10-18(26)11-9-16)24(29)25(30)27(22)15-20-7-4-13-32-20/h3-11,13-14,22,29H,2,12,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,20,8,6,19,27,31,28,30,3,21,10,17,26,9,29,5,18,12,11,24,13,14,32,16,25,23,15,4,22/E:(8,9)(10,11)/rA:32cCCCOCCCCCCCCCCONCCCCCOOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;s11s14;s16;s17;d18;s19;d20;s18s21;s13;s12;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22ClNO5
All Atoms:54
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.8597
Area:691.762
Solvation:-6.43433
Coulombic:-57.9818
Bond Count [?]
All:35
Single:24
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:451.899
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.92
LogP (Chemaxon):4.03

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Descriptor Annotations

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