3-(1,3-benzothiazol-2-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S713-3097 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{4-[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | Cn1cccc1c1nc(C2CCN(CC2)C(CCc2nc3ccccc3s2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.475 |
| logD: | 4.475 |
| logSw: | -4.1841 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.398 |
| InChI Key: | BUHXSTOHPSVOHY-UHFFFAOYSA-N |