rel-(4aR,8aS)-1-(2-methoxyethyl)-2-oxo-N-(propan-2-yl)-6-[(thiophen-3-yl)acetyl]octahydro-1,6-naphthyridine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-1-(2-methoxyethyl)-2-oxo-N-(propan-2-yl)-6-[(thiophen-3-yl)acetyl]octahydro-1,6-naphthyridine-4a(2H)-carboxamide
rel-(4aR,8aS)-1-(2-methoxyethyl)-2-oxo-N-(propan-2-yl)-6-[(thiophen-3-yl)acetyl]octahydro-1,6-naphthyridine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | SB17-0737 |
| Compound Name: | rel-(4aR,8aS)-1-(2-methoxyethyl)-2-oxo-N-(propan-2-yl)-6-[(thiophen-3-yl)acetyl]octahydro-1,6-naphthyridine-4a(2H)-carboxamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C21 H31 N3 O4 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCC(N2CCOC)=O)C(NC(C)C)=O)C(Cc1ccsc1)=O |
| Stereo: | RELATIVE |
| logP: | 1.2761 |
| logD: | 1.2761 |
| logSw: | -2.3235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.296 |
| InChI Key: | XVFHXTSTAPQJNX-UWJYYQICSA-N |