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Chemical ID: 4635655
Chemical ID:
4635655
Name [?]:
4-benzoyl-3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccccc4
InChi [?]:
InChI=1/C23H24N2O4/c26-21(18-9-5-2-6-10-18)19-20(17-7-3-1-4-8-17)25(23(28)22(19)27)12-11-24-13-15-29-16-14-24/h1-10,20,27H,11-16H2
InChi Info:
AuxInfo=1/0/N:1,27,2,6,26,28,3,5,25,29,14,13,16,20,17,19,4,24,8,7,22,9,10,15,12,23,21,11,18/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:29cCCCCCCCCCCONCCNCCOCCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s7s10;s12;s13;s14;s15;s16;s17;s18;s15s19;s9;s8;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0219 |
Area: | 616.004 |
Solvation: | -5.37817 |
Coulombic: | -57.8489 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.65 |
LogP (Chemaxon): | 0.67 |
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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