5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C756-0245 |
| Compound Name: | 5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | C1CSc2ccccc2N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8041 |
| logD: | 2.8041 |
| logSw: | -3.1909 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.603 |
| InChI Key: | BMMPZLDLCHLMDH-UHFFFAOYSA-N |