Chemical ID: 7060510

CCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccncc3
Chemical ID:
7060510
Name [?]:
5-(4-butoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccncc3
InChi [?]:
InChI=1/C23H26N2O5/c1-3-4-14-30-18-7-5-16(6-8-18)20-19(21(26)17-9-11-24-12-10-17)22(27)23(28)25(20)13-15-29-2/h5-12,20,27H,3-4,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,3,8,10,7,11,26,30,27,29,18,4,19,9,25,6,13,12,23,14,15,28,17,24,22,16,20,5/E:(5,6)(7,8)(9,10)(11,12)/rA:30cCCCCOCCCCCCCCCCONCCOCOCOCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;s14;s13;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O5
All Atoms:56
Heavy Atoms:30
Chiral Atoms:None
ZAP Information [?]
Total:9.9534
Area:657.602
Solvation:-6.48666
Coulombic:-62.5948
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.02
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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