ChemDB: Chemical Search
Download
Chemical ID: 4829081
Chemical ID:
4829081
Name [?]:
5-(4-ethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H27NO5/c1-4-30-19-12-10-17(11-13-19)21-20(22(26)18-8-6-16(2)7-9-18)23(27)24(28)25(21)14-5-15-29-3/h6-13,21,27H,4-5,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,20,2,17,26,28,25,29,6,8,5,9,16,18,27,7,24,4,11,10,22,12,13,15,23,21,14,19,3/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCOCCCCCCCCCCONCCCOCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s12;s11;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.206 |
Area: | 670.077 |
Solvation: | -6.54595 |
Coulombic: | -58.6212 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 409.475 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.14 |
LogP (Chemaxon): | 2.67 |
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 |
---|