rel-(4aR,8aR)-1-cyclopropyl-2,2-dioxo-N-[(pyridin-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-cyclopropyl-2,2-dioxo-N-[(pyridin-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-cyclopropyl-2,2-dioxo-N-[(pyridin-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0857 |
| Compound Name: | rel-(4aR,8aR)-1-cyclopropyl-2,2-dioxo-N-[(pyridin-3-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C18 H25 N3 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2C1CC1)(=O)=O)C(NCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2459 |
| logD: | 1.2434 |
| logSw: | -1.6306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.597 |
| InChI Key: | OBVGIDOYYSGLEW-WMZOPIPTSA-N |