N-[(adamantan-1-yl)methyl]-5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-[(adamantan-1-yl)methyl]-5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0977 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(NCC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2268 |
| logD: | 4.2256 |
| logSw: | -4.392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.789 |
| InChI Key: | CHEOBEHTSFYOGL-UHFFFAOYSA-N |