ethyl 4-{3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
ethyl 4-{3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 8015-2793 |
| Compound Name: | ethyl 4-{3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C=C(C1=O)N1CCC(CC1)c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1685 |
| logD: | 4.168 |
| logSw: | -4.0677 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.811 |
| InChI Key: | LDKHIIFGXXIGHF-UHFFFAOYSA-N |