3-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3099 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | COc1cccc(CN2c3ccccc3S(C(C(N3CCCCCC3)=O)=N2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1647 |
| logD: | 3.1647 |
| logSw: | -3.5878 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.213 |
| InChI Key: | KFFFPMRSOZEBSJ-UHFFFAOYSA-N |