rel-(4aR,8aR)-1-ethyl-N-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-ethyl-N-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-ethyl-N-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0153 |
| Compound Name: | rel-(4aR,8aR)-1-ethyl-N-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 447.64 |
| Molecular Formula: | C24 H37 N3 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NCc1ccc(cc1)N1CCC(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2957 |
| logD: | 3.2662 |
| logSw: | -3.648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.58 |
| InChI Key: | APPVOLODDKDIPI-UPVQGACJSA-N |