rel-(3aR,6aR)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Chemical Structure Depiction of
rel-(3aR,6aR)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
rel-(3aR,6aR)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1)
Compound characteristics
Compound ID: | D128-0008 |
Compound Name: | rel-(3aR,6aR)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-iminohexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione--hydrogen bromide (1/1) |
Molecular Weight: | 407.3 |
Molecular Formula: | C13 H14 N2 O4 S2 |
Salt: | HBr |
Smiles: | C1COc2cc(ccc2O1)N1C(=N)S[C@H]2CS(C[C@@H]12)(=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.0992 |
logD: | 0.0977 |
logSw: | -2.3173 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.39 |
InChI Key: | FAGKBCNYZDBABN-SKDRFNHKSA-N |