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Chemical ID: 7439927
Chemical ID:
7439927
Name [?]:
5-(2,5-dimethoxyphenyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cc(ccc3OC)OC)O
InChi [?]:
InChI=1/C25H29NO7/c1-15(2)33-17-8-6-16(7-9-17)23(27)21-22(26(12-13-30-3)25(29)24(21)28)19-14-18(31-4)10-11-20(19)32-5/h6-11,14-15,22,27H,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,22,32,30,7,9,6,10,26,27,19,20,24,2,8,5,25,23,28,12,13,11,17,15,14,33,18,16,21,31,29,4/E:(1,2)(6,7)(8,9)/rA:33cCCCOCCCCCCCCCNCOCOCCOCCCCCCCOCOCO/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;s28;s29;s25;s31;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO7 |
All Atoms: | 62 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.05222 |
Area: | 632.124 |
Solvation: | -8.75088 |
Coulombic: | -71.7943 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 455.5 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.99 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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