N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]glycinamide
Chemical Structure Depiction of
N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]glycinamide
N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]glycinamide
Compound characteristics
| Compound ID: | E975-1822 |
| Compound Name: | N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]glycinamide |
| Molecular Weight: | 489.49 |
| Molecular Formula: | C19 H18 F3 N3 O5 S2 |
| Smiles: | CN(CC(Nc1ccc(cc1)OC(F)(F)F)=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.422 |
| logD: | 3.4218 |
| logSw: | -4.0712 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.041 |
| InChI Key: | WKGLQKDTCXVRBK-UHFFFAOYSA-N |