rel-(4aR,8aS)-N-(2-fluorophenyl)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-6(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N-(2-fluorophenyl)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-6(2H)-carboxamide
rel-(4aR,8aS)-N-(2-fluorophenyl)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-6(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0251 |
| Compound Name: | rel-(4aR,8aS)-N-(2-fluorophenyl)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-6(2H)-carboxamide |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C22 H31 F N4 O6 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O)C(Nc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.557 |
| logD: | 0.557 |
| logSw: | -2.3278 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.38 |
| InChI Key: | JIYVWXDPBUDWNF-KNQAVFIVSA-N |