rel-(4aR,8aS)-6-[3-(1H-indol-3-yl)propanoyl]-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-[3-(1H-indol-3-yl)propanoyl]-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
rel-(4aR,8aS)-6-[3-(1H-indol-3-yl)propanoyl]-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0332 |
| Compound Name: | rel-(4aR,8aS)-6-[3-(1H-indol-3-yl)propanoyl]-N,N,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2C)(=O)=O)C(N(C)C)=O)C(CCc1c[nH]c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5929 |
| logD: | 0.5929 |
| logSw: | -2.3131 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.728 |
| InChI Key: | ULPUMBPXUYJWKS-KNQAVFIVSA-N |