3-{[(3-nitrophenyl)methyl]sulfanyl}-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[(3-nitrophenyl)methyl]sulfanyl}-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[(3-nitrophenyl)methyl]sulfanyl}-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2725 |
| Compound Name: | 3-{[(3-nitrophenyl)methyl]sulfanyl}-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C17 H17 N3 O4 S2 |
| Smiles: | CCCN1C(=NS(c2ccccc12)(=O)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8637 |
| logD: | 3.8637 |
| logSw: | -3.9332 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.345 |
| InChI Key: | XDALHPSHNOWZSR-UHFFFAOYSA-N |