rel-(4aR,8aR)-1-cyclopropyl-N-{2-[ethyl(phenyl)amino]ethyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-cyclopropyl-N-{2-[ethyl(phenyl)amino]ethyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-cyclopropyl-N-{2-[ethyl(phenyl)amino]ethyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0963 |
| Compound Name: | rel-(4aR,8aR)-1-cyclopropyl-N-{2-[ethyl(phenyl)amino]ethyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 419.59 |
| Molecular Formula: | C22 H33 N3 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2C1CC1)(=O)=O)C(NCCN(CC)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8703 |
| logD: | 2.8651 |
| logSw: | -3.4054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.91 |
| InChI Key: | WWDGGCABZIHKMT-UNMCSNQZSA-N |