N-[3-(furan-2-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[3-(furan-2-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[3-(furan-2-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2856 |
| Compound Name: | N-[3-(furan-2-yl)propyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C16 H18 N2 O4 S2 |
| Smiles: | C(Cc1ccco1)CNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4464 |
| logD: | 2.4461 |
| logSw: | -2.9924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.739 |
| InChI Key: | ITGOPGYXLKUQGV-UHFFFAOYSA-N |