ChemDB: Chemical Search
Download
Chemical ID: 6612698
Chemical ID:
6612698
Name [?]:
5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)Cc4ccncc4)O
InChi [?]:
InChI=1/C26H24N2O6/c1-32-19-7-4-17(5-8-19)24(29)22-23(18-6-9-20(33-2)21(14-18)34-3)28(26(31)25(22)30)15-16-10-12-27-13-11-16/h4-14,23,30H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,24,5,7,18,4,8,19,29,33,30,32,22,27,28,6,17,3,20,21,11,16,9,12,13,31,15,10,34,14,2,25,23/E:(4,5)(7,8)(10,11)(12,13)/rA:34cCOCCCCCCCOCCCONCCCCCCCOCOCCCCCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s15;s27;s28;d29;s30;d31;d28s32;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.44013 |
Area: | 681.443 |
Solvation: | -9.59595 |
Coulombic: | -67.4625 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 460.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.13 |
LogP (Chemaxon): | 1.35 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|