1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
Compound ID: | 4622-8560 |
Compound Name: | 1-(1,3-benzothiazol-2-yl)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one |
Molecular Weight: | 506.96 |
Molecular Formula: | C26 H19 Cl N2 O5 S |
Smiles: | CCOc1cc(ccc1O)C1C(=C(C(N1c1nc2ccccc2s1)=O)O)C(c1ccc(cc1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3131 |
logD: | 5.1707 |
logSw: | -5.7937 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.509 |
InChI Key: | SAQRGKHYTDGLFS-JOCHJYFZSA-N |