ChemDB: Chemical Search
Download
Chemical ID: 7190435
Chemical ID:
7190435
Name [?]:
5-(4-ethoxyphenyl)-4-(4-methoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1ccc(cc1)C2C(C(=O)C(=O)N2CCCOC)C(=O)c3ccc(cc3C)OC
InChi [?]:
InChI=1/C25H29NO6/c1-5-32-18-9-7-17(8-10-18)22-21(24(28)25(29)26(22)13-6-14-30-3)23(27)20-12-11-19(31-4)15-16(20)2/h7-12,15,21-22H,5-6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,21,32,2,18,6,8,5,9,26,25,17,19,28,29,7,4,27,24,11,10,22,12,14,16,23,13,15,20,31,3/E:(7,8)(9,10)/rA:32cCCOCCCCCCCCCOCONCCCOCCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;d14;s10s14;s16;s17;s18;s19;s20;s11;d22;s22;s24;d25;s26;d27;d24s28;s29;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO6 |
All Atoms: | 61 |
Heavy Atoms: | 32 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.93778 |
Area: | 648.017 |
Solvation: | -9.26266 |
Coulombic: | -54.3956 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 439.501 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.18 |
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 |
---|