2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(propan-2-yl)acetamide
2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | G640-1158 |
| Compound Name: | 2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C21 H31 N3 O4 S2 |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(NC(C)C)=O)C(CC(C)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0261 |
| logD: | 3.0261 |
| logSw: | -3.6661 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.378 |
| InChI Key: | LTRHBFJOJCDROZ-MRXNPFEDSA-N |