2-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2372 |
| Compound Name: | 2-methyl-4-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 474.64 |
| Molecular Formula: | C23 H30 N4 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCCCN1CCN(CC1)c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9091 |
| logD: | 2.6155 |
| logSw: | -3.5155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.233 |
| InChI Key: | ZQXJPJZOQDCXLC-GOSISDBHSA-N |