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Chemical ID: 7452278
Chemical ID:
7452278
Name [?]:
4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(2-methoxyethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccnc3)O
InChi [?]:
InChI=1/C22H24N2O5/c1-14(2)29-17-8-6-15(7-9-17)20(25)18-19(16-5-4-10-23-13-16)24(11-12-28-3)22(27)21(18)26/h4-10,13-14,19,25H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,22,25,24,7,9,6,10,26,19,20,28,2,8,23,5,12,13,11,17,15,27,14,29,18,16,21,4/E:(1,2)(6,7)(8,9)/rA:29cCCCOCCCCCCCCCNCOCOCCOCCCCCNCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s13;s23;d24;s25;d26;d23s27;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O5 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.6672 |
Area: | 580.665 |
Solvation: | -6.84943 |
Coulombic: | -62.3022 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.91 |
LogP (Chemaxon): | 0.47 |
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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