5-acetyl-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0248 |
| Compound Name: | 5-acetyl-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C22 H24 N4 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N(C)Cc1cnn(c1)c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2443 |
| logD: | 3.2443 |
| logSw: | -3.6652 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.543 |
| InChI Key: | ZBBMYAXJEBOPKX-UHFFFAOYSA-N |