2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2360 |
| Compound Name: | 2-methyl-N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 473.66 |
| Molecular Formula: | C24 H31 N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCC1CCN(CC1)Cc1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0477 |
| logD: | 1.7538 |
| logSw: | -4.0114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.881 |
| InChI Key: | MWSJPHLMWZCVKN-GOSISDBHSA-N |