N-{3-[(adamantan-2-yl)oxy]propyl}-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide
Chemical Structure Depiction of
N-{3-[(adamantan-2-yl)oxy]propyl}-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide
N-{3-[(adamantan-2-yl)oxy]propyl}-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide
Compound characteristics
| Compound ID: | K261-1478 |
| Compound Name: | N-{3-[(adamantan-2-yl)oxy]propyl}-3-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | C(CNC(CCC1NS(c2ccccc2N=1)(=O)=O)=O)COC1C2CC3CC(C2)CC1C3 |
| Stereo: | ACHIRAL |
| logP: | 1.9565 |
| logD: | 1.5909 |
| logSw: | -2.6763 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.788 |
| InChI Key: | HQJKSEGDQKDXSV-UHFFFAOYSA-N |