7-[4-oxo-4-(4-phenylpiperazin-1-yl)butane-2-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-oxo-4-(4-phenylpiperazin-1-yl)butane-2-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-oxo-4-(4-phenylpiperazin-1-yl)butane-2-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-0466 |
| Compound Name: | 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butane-2-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CC(CC(N1CCN(CC1)c1ccccc1)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1438 |
| logD: | 2.1436 |
| logSw: | -2.9901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.544 |
| InChI Key: | VAZIKASLRGJOAH-KRWDZBQOSA-N |