2-(4-aminophenyl)-1H-1lambda~6~,3lambda~6~,2-benzodithiazole-1,1,3,3(2H)-tetrone
Chemical Structure Depiction of
2-(4-aminophenyl)-1H-1lambda~6~,3lambda~6~,2-benzodithiazole-1,1,3,3(2H)-tetrone
2-(4-aminophenyl)-1H-1lambda~6~,3lambda~6~,2-benzodithiazole-1,1,3,3(2H)-tetrone
Compound characteristics
| Compound ID: | R052-1716 |
| Compound Name: | 2-(4-aminophenyl)-1H-1lambda~6~,3lambda~6~,2-benzodithiazole-1,1,3,3(2H)-tetrone |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C12 H10 N2 O4 S2 |
| Smiles: | c1ccc2c(c1)S(N(c1ccc(cc1)N)S2(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9625 |
| logD: | 0.9556 |
| logSw: | -2.1239 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.747 |
| InChI Key: | OOYYVOZABUYGHR-UHFFFAOYSA-N |