rel-(4aR,8aR)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0860 |
| Compound Name: | rel-(4aR,8aR)-1-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C22 H32 N2 O5 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2C1CC1)(=O)=O)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9242 |
| logD: | 1.9242 |
| logSw: | -2.753 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.181 |
| InChI Key: | VYGFHFCYLITCTM-UNMCSNQZSA-N |