4-benzyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-benzyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
4-benzyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2862 |
| Compound Name: | 4-benzyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C21 H17 N3 O4 S2 |
| Smiles: | C(c1ccccc1)N1C(=NS(c2ccccc12)(=O)=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4623 |
| logD: | 4.4623 |
| logSw: | -4.4697 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.095 |
| InChI Key: | BHKQMTXPOWTDSR-UHFFFAOYSA-N |