ChemDB: Chemical Search
Download
Chemical ID: 4132965
Chemical ID:
4132965
Name [?]:
4-(2-furylcarbonyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-methyl-2-thienyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccsc1C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccco4
InChi [?]:
InChI=1/C19H15NO5S/c1-11-6-9-26-18(11)15-14(16(21)13-5-3-8-25-13)17(22)19(23)20(15)10-12-4-2-7-24-12/h2-9,15,22H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,24,15,23,3,17,25,4,13,2,14,22,8,7,20,9,6,10,12,21,19,11,18,26,5/rA:26cCCCCSCCCCCONCCCCCOOCOCCCCO/rB:s1;s2;d3;s4;d2s5;s6;s7;d8;s9;d10;s7s10;s12;s13;d14;s15;d16;s14s17;s9;s8;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO5S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.29007 |
Area: | 546.782 |
Solvation: | -5.37948 |
Coulombic: | -56.899 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.51 |
LogP (Chemaxon): | 1.78 |
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 |
---|