7-{4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-{4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-{4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-0570 |
| Compound Name: | 7-{4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 491.6 |
| Molecular Formula: | C23 H26 F N3 O4 S2 |
| Smiles: | CC(CC(N1CCN(CC1)c1ccccc1F)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3223 |
| logD: | 2.3222 |
| logSw: | -3.0454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.243 |
| InChI Key: | LVIYGPBENQEWII-INIZCTEOSA-N |