N-[(4-fluorophenyl)methyl]-3-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]-3-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3429 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-methyl-4-oxo-N-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C23 H22 F N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N(Cc1ccc(cc1)F)Cc1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5659 |
| logD: | 3.5654 |
| logSw: | -3.5937 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.069 |
| InChI Key: | QHEDEYMPFRWUAK-MRXNPFEDSA-N |