1-(azepan-1-yl)-3-(3-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(3-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one
1-(azepan-1-yl)-3-(3-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one
Compound characteristics
| Compound ID: | E823-0146 |
| Compound Name: | 1-(azepan-1-yl)-3-(3-{[4-(phenylmethanesulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one |
| Molecular Weight: | 512.07 |
| Molecular Formula: | C23 H33 N5 O4 S |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)C(CCc1nc(CN2CCN(CC2)S(Cc2ccccc2)(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6388 |
| logD: | 1.6387 |
| logSw: | -2.2146 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.441 |
| InChI Key: | UBLZXYRBDNLJFU-UHFFFAOYSA-N |