N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-(3-methyl-1H-pyrazol-5-yl)-N~2~-phenylglycinamide
Chemical Structure Depiction of
N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-(3-methyl-1H-pyrazol-5-yl)-N~2~-phenylglycinamide
N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-(3-methyl-1H-pyrazol-5-yl)-N~2~-phenylglycinamide
Compound characteristics
Compound ID: | C998-0605 |
Compound Name: | N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N-(3-methyl-1H-pyrazol-5-yl)-N~2~-phenylglycinamide |
Molecular Weight: | 405.5 |
Molecular Formula: | C17 H19 N5 O3 S2 |
Smiles: | Cc1cc(NC(CN(C2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)c2ccccc2)=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.2145 |
logD: | 1.2135 |
logSw: | -2.4603 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.299 |
InChI Key: | LEXLDWJDZMLREB-UHFFFAOYSA-N |