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Chemical ID: 4819849
Chemical ID:
4819849
Name [?]:
3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5-(2-methoxyphenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccccc3OC)CCCOC)O)OC
InChi [?]:
InChI=1/C24H27NO6/c1-15-14-16(30-3)10-11-17(15)22(26)20-21(18-8-5-6-9-19(18)31-4)25(12-7-13-29-2)24(28)23(20)27/h5-6,8-11,14,21,27H,7,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,31,23,18,19,25,17,20,5,6,24,26,3,2,4,7,16,21,10,15,8,11,12,14,9,29,13,27,30,22/rA:31cCCCCCCCCOCCCONCCCCCCCOCCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s14;s24;s25;s26;s27;s11;s4;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.03267 |
Area: | 641.949 |
Solvation: | -7.01606 |
Coulombic: | -65.7269 |
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: | 3.63 |
LogP (Chemaxon): | 2.07 |
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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