N-[1-(adamantan-1-yl)-1H-pyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-[1-(adamantan-1-yl)-1H-pyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1075 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-4-yl]-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CN1C(=CC(c2ccco2)=NS1(=O)=O)C(Nc1cnn(c1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0161 |
| logD: | 1.1772 |
| logSw: | -3.5446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.946 |
| InChI Key: | DKWIWYWUJRHONP-UHFFFAOYSA-N |