N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-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)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3359 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 494.07 |
| Molecular Formula: | C23 H28 Cl N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCC1CCN(CC1)Cc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4243 |
| logD: | 3.1999 |
| logSw: | -4.5048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.938 |
| InChI Key: | XTKJQTJTAYQVFL-MRXNPFEDSA-N |