rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
Compound ID: | S762-0417 |
Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
Molecular Weight: | 434.56 |
Molecular Formula: | C21 H30 N4 O4 S |
Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(NCc1nc2ccccc2n1C)=O |
Stereo: | RELATIVE |
logP: | 1.5272 |
logD: | 1.5262 |
logSw: | -2.2876 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.71 |
InChI Key: | UZDFVDGZYAOWSC-RXVVDRJESA-N |