rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[(thiophen-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[(thiophen-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[(thiophen-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0818 |
| Compound Name: | rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[(thiophen-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 356.5 |
| Molecular Formula: | C16 H24 N2 O3 S2 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NCc1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9146 |
| logD: | 1.9146 |
| logSw: | -2.4765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.146 |
| InChI Key: | ZYQATEHLCMHHDC-HOCLYGCPSA-N |