N-{3-[(adamantan-1-yl)oxy]propyl}-4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{3-[(adamantan-1-yl)oxy]propyl}-4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide
N-{3-[(adamantan-1-yl)oxy]propyl}-4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | K261-1741 |
| Compound Name: | N-{3-[(adamantan-1-yl)oxy]propyl}-4-(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanamide |
| Molecular Weight: | 487.66 |
| Molecular Formula: | C26 H37 N3 O4 S |
| Smiles: | CC(C)(CC1Nc2ccccc2S(N=1)(=O)=O)CC(NCCCOC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6004 |
| logD: | 3.6 |
| logSw: | -3.814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.679 |
| InChI Key: | IMBAHBRUQGXLFS-UHFFFAOYSA-N |