rel-(4aR,8aS)-N,1-dimethyl-6-[(5-methylfuran-2-yl)methyl]-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N,1-dimethyl-6-[(5-methylfuran-2-yl)methyl]-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
rel-(4aR,8aS)-N,1-dimethyl-6-[(5-methylfuran-2-yl)methyl]-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0412 |
| Compound Name: | rel-(4aR,8aS)-N,1-dimethyl-6-[(5-methylfuran-2-yl)methyl]-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide |
| Molecular Weight: | 355.45 |
| Molecular Formula: | C16 H25 N3 O4 S |
| Smiles: | [H][C@@]12CCN(Cc3ccc(C)o3)C[C@]1(CCS(N2C)(=O)=O)C(NC)=O |
| Stereo: | RELATIVE |
| logP: | 0.3364 |
| logD: | -0.0739 |
| logSw: | -2.2201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.567 |
| InChI Key: | ANVUECDJESMMIY-ZBFHGGJFSA-N |