5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0973 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | CC1(C)CC2CC(C)(C1)CN2C(C1=CC(c2ccc3c(c2)OCO3)=NS(N1C)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1925 |
| logD: | 3.1925 |
| logSw: | -3.4187 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.677 |
| InChI Key: | FKNMMAFFIQEBLU-UHFFFAOYSA-N |