2-({4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl}methyl)-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl}methyl)-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-({4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl}methyl)-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-3093 |
| Compound Name: | 2-({4-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl}methyl)-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 557.67 |
| Molecular Formula: | C31 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(c3csc(c4ccc5c(CCO5)c4)n3)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.177 |
| logD: | 5.1767 |
| logSw: | -5.1166 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.311 |
| InChI Key: | COULPCQCVPQWMS-UHFFFAOYSA-N |