N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2819 |
| Compound Name: | N-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C21 H27 N3 O4 S2 |
| Smiles: | C1CCCN(CC1)Cc1ccc(CNS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.0904 |
| logD: | 0.9226 |
| logSw: | -3.4471 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.224 |
| InChI Key: | ADJLPLZOLDIUKM-UHFFFAOYSA-N |