7-{2-hydroxy-3-[4-(methanesulfonyl)piperazin-1-yl]propoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-{2-hydroxy-3-[4-(methanesulfonyl)piperazin-1-yl]propoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-{2-hydroxy-3-[4-(methanesulfonyl)piperazin-1-yl]propoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-5156 |
| Compound Name: | 7-{2-hydroxy-3-[4-(methanesulfonyl)piperazin-1-yl]propoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C20 H26 N2 O6 S |
| Smiles: | CS(N1CCN(CC1)CC(COc1ccc2C3CCCC=3C(=O)Oc2c1)O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0614 |
| logD: | 1.058 |
| logSw: | -2.4602 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.581 |
| InChI Key: | KUGQMXMMPGHDEG-AWEZNQCLSA-N |