rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0683 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C20 H30 N2 O5 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(NCc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7647 |
| logD: | 1.7647 |
| logSw: | -2.4266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.267 |
| InChI Key: | XENYMHCHMCPILM-ICSRJNTNSA-N |