rel-(4aR,8aR)-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0067 |
| Compound Name: | rel-(4aR,8aR)-1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NCCc1c[nH]c2ccccc12)=O |
| Stereo: | RELATIVE |
| logP: | 2.3725 |
| logD: | 2.3725 |
| logSw: | -2.6932 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.84 |
| InChI Key: | HYMDRFNLUVVQJW-FPOVZHCZSA-N |