1-{4-[4-(4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | M030-0116 |
| Compound Name: | 1-{4-[4-(4H-[1]benzopyrano[3,4-d][1,2]oxazole-8-sulfonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1ccc2c(c1)c1c(CO2)cno1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3046 |
| logD: | 2.3046 |
| logSw: | -2.8304 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.22 |
| InChI Key: | MUIWBMWBVNHSBE-UHFFFAOYSA-N |