rel-(4aR,8aR)-1-cyclopropyl-2,2-dioxo-N-[3-(pyrrolidin-1-yl)propyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-cyclopropyl-2,2-dioxo-N-[3-(pyrrolidin-1-yl)propyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-cyclopropyl-2,2-dioxo-N-[3-(pyrrolidin-1-yl)propyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-1089 |
| Compound Name: | rel-(4aR,8aR)-1-cyclopropyl-2,2-dioxo-N-[3-(pyrrolidin-1-yl)propyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 383.55 |
| Molecular Formula: | C19 H33 N3 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2C1CC1)(=O)=O)C(NCCCN1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4117 |
| logD: | -1.6788 |
| logSw: | -1.9279 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.269 |
| InChI Key: | JHJIIYGKNPCVEU-HKUYNNGSSA-N |