N-[(4-fluorophenyl)methyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-fluorophenyl)methyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2831 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C22 H20 F N3 O3 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N(Cc1ccc(cc1)F)Cc1cccnc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.92 |
| logD: | 2.9197 |
| logSw: | -3.1933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.012 |
| InChI Key: | VUKBGNQUQPGZOP-UHFFFAOYSA-N |