ChemDB: Chemical Search
Download
Chemical ID: 5284240
Chemical ID:
5284240
Name [?]:
3-hydroxy-4-(4-isobutoxybenzoyl)-1-(2-methoxyethyl)-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCOC)O
InChi [?]:
InChI=1/C23H26N2O5/c1-15(2)14-30-18-8-6-16(7-9-18)21(26)19-20(17-5-4-10-24-13-17)25(11-12-29-3)23(28)22(19)27/h4-10,13,15,20,27H,11-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,22,21,8,10,7,11,23,26,27,25,4,2,9,20,6,14,19,12,15,16,24,18,13,30,17,28,5/E:(1,2)(6,7)(8,9)/rA:30cCCCCOCCCCCCCOCCCONCCCCCNCCCOCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s18;s26;s27;s28;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.86744 |
Area: | 648.031 |
Solvation: | -6.33334 |
Coulombic: | -62.8076 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 410.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.75 |
LogP (Chemaxon): | 1.2 |
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 |
---|