3-(azepane-1-carbonyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3125 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C20 H23 N5 O4 S |
| Smiles: | C1CCCN(CC1)C(C1=NN(Cc2nc(C3CC3)no2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4707 |
| logD: | 2.4707 |
| logSw: | -2.6158 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 92.535 |
| InChI Key: | IBIXLSGLMGCXEP-UHFFFAOYSA-N |