N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G115-0132 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 480.05 |
| Molecular Formula: | C22 H26 Cl N3 O3 S2 |
| Smiles: | C1CN(CCC1CNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7784 |
| logD: | 2.554 |
| logSw: | -4.3669 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.881 |
| InChI Key: | MLIAJNJMJLUHOL-UHFFFAOYSA-N |