3-(azepane-1-carbonyl)-1-[(3-fluorophenyl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-1-[(3-fluorophenyl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
3-(azepane-1-carbonyl)-1-[(3-fluorophenyl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3448 |
| Compound Name: | 3-(azepane-1-carbonyl)-1-[(3-fluorophenyl)methyl]-7-methyl-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 429.51 |
| Molecular Formula: | C22 H24 F N3 O3 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1cccc(c1)F)N=C(C(N1CCCCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8485 |
| logD: | 3.8485 |
| logSw: | -3.8943 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.669 |
| InChI Key: | NFRIEKWTHPXEPH-UHFFFAOYSA-N |