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Chemical ID: 6213640
Chemical ID:
6213640
Name [?]:
5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)Cc4cccnc4)O
InChi [?]:
InChI=1/C26H24N2O6/c1-32-19-9-6-17(7-10-19)24(29)22-23(18-8-11-20(33-2)21(13-18)34-3)28(26(31)25(22)30)15-16-5-4-12-27-14-16/h4-14,23,30H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,24,30,29,5,7,18,4,8,19,31,22,33,27,28,6,17,3,20,21,11,16,9,12,13,32,15,10,34,14,2,25,23/E:(6,7)(9,10)/rA:34cCOCCCCCCCOCCCONCCCCCCCOCOCCCCCCNCO/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: | 7.53103 |
Area: | 681.395 |
Solvation: | -9.50385 |
Coulombic: | -67.6896 |
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): | 1.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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