N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | IB03-8086 |
| Compound Name: | N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C25 H25 N5 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CNC(c1ccc2c(c1)sc(n2)n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.96 |
| logD: | 3.96 |
| logSw: | -5.07 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.7 |
| InChI Key: | IICPOEPKZSGCIF-UHFFFAOYSA-N |