rel-(4aR,8aR)-1-benzyl-N-[2-(1H-imidazol-1-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-benzyl-N-[2-(1H-imidazol-1-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-benzyl-N-[2-(1H-imidazol-1-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-1043 |
| Compound Name: | rel-(4aR,8aR)-1-benzyl-N-[2-(1H-imidazol-1-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2Cc1ccccc1)(=O)=O)C(NCCn1ccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3772 |
| logD: | 1.2311 |
| logSw: | -2.1143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.773 |
| InChI Key: | LDMKTPUJHXSDGK-FPOVZHCZSA-N |