ChemDB: Chemical Search
Download
Chemical ID: 7015170
Chemical ID:
7015170
Name [?]:
3-hydroxy-1-(2-methoxyethyl)-4-(3-propoxybenzoyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCOC)O)C(=O)c3cccc(c3)OCCC
InChi [?]:
InChI=1/C26H31NO6/c1-4-14-32-20-11-9-18(10-12-20)23-22(25(29)26(30)27(23)13-16-31-3)24(28)19-7-6-8-21(17-19)33-15-5-2/h6-12,17,23,29H,4-5,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,20,2,32,26,25,27,7,9,6,10,17,3,31,18,29,8,24,5,28,12,11,22,13,14,16,23,21,15,19,4,30/E:(9,10)(11,12)/rA:33cCCCOCCCCCCCCCCONCCOCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s13;s12;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31NO6 |
All Atoms: | 64 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8682 |
Area: | 720.962 |
Solvation: | -7.15584 |
Coulombic: | -66.497 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 453.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.4 |
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 |
---|