N-[4-(diethylamino)-2-methylphenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[4-(diethylamino)-2-methylphenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[4-(diethylamino)-2-methylphenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | E975-1619 |
| Compound Name: | N-[4-(diethylamino)-2-methylphenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C20 H25 N3 O3 S2 |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4558 |
| logD: | 2.716 |
| logSw: | -3.8226 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.078 |
| InChI Key: | GQFIHYMZAZGQIW-UHFFFAOYSA-N |