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Chemical ID: 6431611
Chemical ID:
6431611
Name [?]:
3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCOC)O
InChi [?]:
InChI=1/C24H27NO6/c1-15-14-17(8-11-19(15)31-4)22(26)20-21(16-6-9-18(30-3)10-7-16)25(12-5-13-29-2)24(28)23(20)27/h6-11,14,21,27H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,25,9,27,19,23,5,20,22,6,26,28,3,2,18,4,21,7,12,17,10,13,14,16,11,31,15,29,24,8/E:(6,7)(9,10)/rA:31cCCCCCCCOCCOCCCONCCCCCCCOCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s16;s26;s27;s28;s29;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.78079 |
Area: | 674.735 |
Solvation: | -8.08759 |
Coulombic: | -64.3759 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 425.474 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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