3-(azepane-1-carbonyl)-1-[(3-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3457 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1nc(C3CC3)no1)N=C(C(N1CCCCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0877 |
| logD: | 3.0877 |
| logSw: | -3.4184 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 92.535 |
| InChI Key: | CXTBMUYKMITYMK-UHFFFAOYSA-N |