3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | C201-0489 |
| Compound Name: | 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 485.44 |
| Molecular Formula: | C19 H18 F3 N5 O5 S |
| Smiles: | C1CN(CCN1C(C1Nc2cc(ccc2S(N1)(=O)=O)C(F)(F)F)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1044 |
| logD: | 2.1039 |
| logSw: | -3.0424 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.662 |
| InChI Key: | KWMNBVNITXXKQY-KRWDZBQOSA-N |