3-methyl-4-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
3-methyl-4-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3421 |
| Compound Name: | 3-methyl-4-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C20 H24 N2 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(NCc1ccc(cc1)OC(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7071 |
| logD: | 3.7066 |
| logSw: | -3.9128 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.008 |
| InChI Key: | PSXOOIJZMWNJSZ-CQSZACIVSA-N |