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Chemical ID: 7060483
Chemical ID:
7060483
Name [?]:
1-(2-diethylaminoethyl)-3-hydroxy-5-(4-propoxyphenyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccncc3
InChi [?]:
InChI=1/C25H31N3O4/c1-4-17-32-20-9-7-18(8-10-20)22-21(23(29)19-11-13-26-14-12-19)24(30)25(31)28(22)16-15-27(5-2)6-3/h7-14,22,30H,4-6,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,23,2,20,22,7,9,6,10,28,32,29,31,18,17,3,8,27,5,12,11,25,13,14,30,19,16,26,24,15,4/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32cCCCOCCCCCCCCCCONCCNCCCCOCOCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s19;s22;s13;s12;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H31N3O4 |
All Atoms: | 63 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7863 |
Area: | 710.062 |
Solvation: | -5.96521 |
Coulombic: | -59.493 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.34 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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