rel-(4aR,8aR)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0122 |
| Compound Name: | rel-(4aR,8aR)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NCCc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8989 |
| logD: | 1.8855 |
| logSw: | -2.4247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.251 |
| InChI Key: | XPSJYQQIMQLFRP-PXNSSMCTSA-N |