4-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
4-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
4-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2823 |
| Compound Name: | 4-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C19 H22 N2 O4 S2 |
| Smiles: | CC(C)Oc1ccc(CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0612 |
| logD: | 3.0609 |
| logSw: | -3.5901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.951 |
| InChI Key: | GCSBHRPYRZFENL-UHFFFAOYSA-N |