N-[(5-methylfuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-[(5-methylfuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0178 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C18 H20 N2 O5 S2 |
| Smiles: | Cc1ccc(CNC(CCS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.5512 |
| logD: | 1.5511 |
| logSw: | -2.3594 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.889 |
| InChI Key: | DAMCUNAJMUTSRU-UHFFFAOYSA-N |