methyl 4-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanamido}benzoate
Chemical Structure Depiction of
methyl 4-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanamido}benzoate
methyl 4-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanamido}benzoate
Compound characteristics
| Compound ID: | Y041-8347 |
| Compound Name: | methyl 4-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanamido}benzoate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CCC(N1CCN(CC1)c1c2ccccc2sn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3197 |
| logD: | 3.3195 |
| logSw: | -3.5919 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.096 |
| InChI Key: | LGWWBWIPEHYXPZ-UHFFFAOYSA-N |