N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-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)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2445 |
| Compound Name: | N-({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 477.62 |
| Molecular Formula: | C23 H28 F N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(NCC1CCN(CC1)Cc1cccc(c1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7465 |
| logD: | 2.2431 |
| logSw: | -3.9784 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.881 |
| InChI Key: | BJYKKJVVVIJERK-MRXNPFEDSA-N |