rel-(4aR,8aS)-N,N,1-trimethyl-2,2-dioxo-6-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N,N,1-trimethyl-2,2-dioxo-6-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
rel-(4aR,8aS)-N,N,1-trimethyl-2,2-dioxo-6-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0392 |
| Compound Name: | rel-(4aR,8aS)-N,N,1-trimethyl-2,2-dioxo-6-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide |
| Molecular Weight: | 423.57 |
| Molecular Formula: | C21 H33 N3 O4 S |
| Smiles: | [H][C@@]12CCN(Cc3ccc(cc3)OC(C)C)C[C@]1(CCS(N2C)(=O)=O)C(N(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0831 |
| logD: | 1.0255 |
| logSw: | -2.2098 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.272 |
| InChI Key: | YOCIVWUDCDJVHC-CTNGQTDRSA-N |