3-[3-(azepan-1-yl)-3-oxopropyl]-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-[3-(azepan-1-yl)-3-oxopropyl]-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-[3-(azepan-1-yl)-3-oxopropyl]-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E883-0093 |
| Compound Name: | 3-[3-(azepan-1-yl)-3-oxopropyl]-6-methyl-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C17 H23 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)N=C(CCC(N1CCCCCC1)=O)NS2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8028 |
| logD: | 1.2229 |
| logSw: | -2.7538 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.348 |
| InChI Key: | RGHWJLSLDONFLJ-UHFFFAOYSA-N |