4-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
4-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
4-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | 8016-2999 |
| Compound Name: | 4-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 399.54 |
| Molecular Formula: | C19 H21 N5 O S2 |
| Smiles: | C(CC(N1CCN(CC1)c1ncccn1)=O)CSc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5875 |
| logD: | 3.5875 |
| logSw: | -3.6181 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.063 |
| InChI Key: | ZMBWGZBRFNELDW-UHFFFAOYSA-N |