3-(azepane-1-carbonyl)-1-butyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-butyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-butyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3079 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-butyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C18 H25 N3 O3 S |
| Smiles: | CCCCN1c2ccccc2S(C(C(N2CCCCCC2)=O)=N1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9024 |
| logD: | 2.9024 |
| logSw: | -3.3985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.919 |
| InChI Key: | SGIMSVDJJQHPEL-UHFFFAOYSA-N |