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Chemical ID: 7060296
Chemical ID:
7060296
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3ccc(c(c3)OC)O
InChi [?]:
InChI=1/C21H23N3O5/c1-23(2)10-11-24-18(14-4-5-15(25)16(12-14)29-3)17(20(27)21(24)28)19(26)13-6-8-22-9-7-13/h4-9,12,18,25,27H,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,22,23,16,20,17,19,4,5,26,15,21,24,25,8,7,13,9,10,18,2,6,29,14,12,11,27/E:(1,2)(6,7)(8,9)/rA:29cCNCCCNCCCCOOCOCCCNCCCCCCCCOCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s7;s21;d22;s23;d24;d21s25;s25;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3O5 |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.69144 |
Area: | 618.404 |
Solvation: | -7.76865 |
Coulombic: | -73.2592 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.31 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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