3-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3442 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1cccc(c1)OC)N=C(C(N1CCCCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7817 |
| logD: | 3.7817 |
| logSw: | -3.9544 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.213 |
| InChI Key: | GSXCCNIZYIKDAZ-UHFFFAOYSA-N |