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Chemical ID: 7060510
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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