N-[1-(adamantan-1-yl)-1H-pyrazol-4-yl]-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-4-yl]-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-[1-(adamantan-1-yl)-1H-pyrazol-4-yl]-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1180 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-4-yl]-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C22 H25 N5 O3 S2 |
| Smiles: | CN1C(=CC(c2cccs2)=NS1(=O)=O)C(Nc1cnn(c1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7539 |
| logD: | 1.9151 |
| logSw: | -3.9393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.386 |
| InChI Key: | RSGKIRHIKOEFCC-UHFFFAOYSA-N |