N-(3-bromophenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
Chemical Structure Depiction of
N-(3-bromophenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
N-(3-bromophenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | E975-1848 |
| Compound Name: | N-(3-bromophenyl)-N~2~-methyl-N~2~-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)glycinamide |
| Molecular Weight: | 484.39 |
| Molecular Formula: | C18 H18 Br N3 O4 S2 |
| Smiles: | CN(CC(Nc1cccc(c1)[Br])=O)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0389 |
| logD: | 3.0376 |
| logSw: | -3.4976 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.104 |
| InChI Key: | SRTLIIWWKODWKH-UHFFFAOYSA-N |