3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3096 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | Cc1ccc(CN2c3ccccc3S(C(C(N3CCCCCC3)=O)=N2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5327 |
| logD: | 3.5327 |
| logSw: | -3.7553 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.669 |
| InChI Key: | MKRWUOFEWAWUAG-UHFFFAOYSA-N |