2-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-1252 |
| Compound Name: | 2-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(N1CCN(CC1)c1ccccc1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0525 |
| logD: | 2.0523 |
| logSw: | -2.9605 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.808 |
| InChI Key: | ATZOTECFLKWRFD-QGZVFWFLSA-N |