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Chemical ID: 7186550
Chemical ID:
7186550
Name [?]:
4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(3-propoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)OCC)O)C(=O)C(=O)N2Cc4cccnc4
InChi [?]:
InChI=1/C28H28N2O5/c1-3-15-35-23-9-5-8-21(16-23)25-24(26(31)20-10-12-22(13-11-20)34-4-2)27(32)28(33)30(25)18-19-7-6-14-29-17-19/h5-14,16-17,25,31H,3-4,15,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,21,7,32,31,8,6,15,19,16,18,33,3,10,35,29,30,14,9,17,5,12,11,13,24,26,34,28,23,25,27,20,4/E:(10,11)(12,13)/rA:35cCCCOCCCCCCCCCCCCCCCOCCOCOCONCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s13;s12;d24;s24;d26;s11s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H28N2O5 |
All Atoms: | 63 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.70835 |
Area: | 656.594 |
Solvation: | -6.70649 |
Coulombic: | -63.6309 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 472.532 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.05 |
LogP (Chemaxon): | 2.52 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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