N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2837 |
| Compound Name: | N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 463.59 |
| Molecular Formula: | C22 H26 F N3 O3 S2 |
| Smiles: | C1CN(CCC1CNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)Cc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 3.3058 |
| logD: | 1.8024 |
| logSw: | -3.6994 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.881 |
| InChI Key: | FMODXBLUOXPKHK-UHFFFAOYSA-N |