N-[(4-fluorophenyl)methyl]-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
N-[(4-fluorophenyl)methyl]-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | E975-1790 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide |
| Molecular Weight: | 437.51 |
| Molecular Formula: | C19 H20 F N3 O4 S2 |
| Smiles: | CN(CC(NCc1ccc(cc1)F)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8376 |
| logD: | 1.8374 |
| logSw: | -2.7187 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.426 |
| InChI Key: | PMDFGZPGJMIIND-UHFFFAOYSA-N |