rel-(4aR,8aS)-6-[(4-ethoxy-3-methoxyphenyl)methyl]-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-6-[(4-ethoxy-3-methoxyphenyl)methyl]-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
rel-(4aR,8aS)-6-[(4-ethoxy-3-methoxyphenyl)methyl]-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0311 |
| Compound Name: | rel-(4aR,8aS)-6-[(4-ethoxy-3-methoxyphenyl)methyl]-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide |
| Molecular Weight: | 439.57 |
| Molecular Formula: | C21 H33 N3 O5 S |
| Smiles: | [H][C@@]12CCN(Cc3ccc(c(c3)OC)OCC)C[C@]1(CCS(N2C)(=O)=O)C(N(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3352 |
| logD: | -0.3611 |
| logSw: | -2.1893 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.31 |
| InChI Key: | FVQVEGIIPOBOOZ-CTNGQTDRSA-N |