tert-butyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonyl)piperazine-1-carboxylate
tert-butyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | E782-0652 |
| Compound Name: | tert-butyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonyl)piperazine-1-carboxylate |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C16 H22 N4 O6 S2 |
| Smiles: | CC(C)(C)OC(N1CCN(CC1)S(c1ccc2c(c1)S(NC=N2)(=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1354 |
| logD: | 1.6261 |
| logSw: | -2.8491 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.692 |
| InChI Key: | JOLLUICVBMEKEQ-UHFFFAOYSA-N |