3-(azepane-1-carbonyl)-7-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-7-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-7-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3456 |
| Compound Name: | 3-(azepane-1-carbonyl)-7-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | CCCc1nc(CN2c3cc(C)ccc3S(C(C(N3CCCCCC3)=O)=N2)(=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.2736 |
| logD: | 3.2736 |
| logSw: | -3.5565 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 93.274 |
| InChI Key: | MPMOHDBMEWLJMA-UHFFFAOYSA-N |