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Chemical ID: 7023496
Chemical ID:
7023496
Name [?]:
1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3C)OC
InChi [?]:
InChI=1/C28H36N2O5/c1-6-17-35-21-11-9-20(10-12-21)25-24(26(31)23-14-13-22(34-5)18-19(23)4)27(32)28(33)30(25)16-15-29(7-2)8-3/h9-14,18,25,32H,6-8,15-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,23,33,35,2,20,22,7,9,6,10,29,28,18,17,3,31,32,8,5,30,27,12,11,25,13,14,19,16,26,24,15,34,4/E:(2,3)(7,8)(9,10)(11,12)/rA:35cCCCOCCCCCCCCCCONCCNCCCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s19;s22;s13;s12;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H36N2O5 |
All Atoms: | 71 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2845 |
Area: | 725.782 |
Solvation: | -6.86003 |
Coulombic: | -62.7129 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 480.596 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.95 |
LogP (Chemaxon): | 1.08 |
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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