3-methyl-4-oxo-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-4-oxo-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3432 |
| Compound Name: | 3-methyl-4-oxo-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 431.57 |
| Molecular Formula: | C21 H25 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(Nc1cccc(CN2CCCC2)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0801 |
| logD: | 0.3344 |
| logSw: | -3.4871 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.195 |
| InChI Key: | LMSCSULAGPYULT-OAHLLOKOSA-N |