rel-(4aR,8aS)-6-(1-ethyl-1H-pyrazole-3-carbonyl)-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-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
rel-(4aR,8aS)-6-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0396 |
| Compound Name: | rel-(4aR,8aS)-6-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C17 H27 N5 O4 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2C)(=O)=O)C(N(C)C)=O)C(c1ccn(CC)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.2022 |
| logD: | -1.2022 |
| logSw: | -1.7728 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.77 |
| InChI Key: | FXOSHLKHHHPENX-PBHICJAKSA-N |