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Chemical ID: 4126478
Chemical ID:
4126478
Name [?]:
5-(3,4-dichlorophenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCCN4CCOCC4)O
InChi [?]:
InChI=1/C26H28Cl2N2O5/c1-16-14-18(5-7-21(16)34-2)24(31)22-23(17-4-6-19(27)20(28)15-17)30(26(33)25(22)32)9-3-8-29-10-12-35-13-11-29/h4-7,14-15,23,32H,3,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,27,19,5,20,6,28,26,30,34,31,33,3,23,2,18,4,21,22,7,12,17,10,13,14,25,24,29,16,11,35,15,8,32/E:(10,11)(12,13)/rA:35cCCCCCCCOCCOCCCONCCCCCCCClClCCCNCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s16;s26;s27;s28;s29;s30;s31;s32;s29s33;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28Cl2N2O5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8645 |
Area: | 765.013 |
Solvation: | -7.2608 |
Coulombic: | -63.2795 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 519.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.39 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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