3-(azepane-1-carbonyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3455 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | CCc1nc(CN2c3cc(C)ccc3S(C(C(N3CCCCCC3)=O)=N2)(=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.7262 |
| logD: | 2.7262 |
| logSw: | -3.2325 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 93.274 |
| InChI Key: | CRRYBNRTQLUEFI-UHFFFAOYSA-N |