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Chemical ID: 7446069
Chemical ID:
7446069
Name [?]:
4-[hydroxy-(4-propoxyphenyl)-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCOC)c3cccnc3)O
InChi [?]:
InChI=1/C23H26N2O5/c1-3-13-30-18-9-7-16(8-10-18)21(26)19-20(17-6-4-11-24-15-17)25(12-5-14-29-2)23(28)22(19)27/h4,6-11,15,20,26H,3,5,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,26,20,25,7,9,6,10,27,19,3,21,29,8,24,5,12,13,11,17,15,28,14,30,18,16,22,4/E:(7,8)(9,10)/rA:30cCCCOCCCCCCCCCNCOCOCCCOCCCCCNCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s22;s13;s24;d25;s26;d27;d24s28;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O5 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.59718 |
Area: | 625.464 |
Solvation: | -7.03942 |
Coulombic: | -62.6608 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.17 |
LogP (Chemaxon): | 0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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