3-(azepane-1-carbonyl)-1-[(2-methylphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(2-methylphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(2-methylphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3094 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(2-methylphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | Cc1ccccc1CN1c2ccccc2S(C(C(N2CCCCCC2)=O)=N1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8566 |
| logD: | 3.8566 |
| logSw: | -3.786 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.669 |
| InChI Key: | ZFECWAXLQAVCNC-UHFFFAOYSA-N |