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~2~-(3-methoxyphenyl)-N-(3-methyl-1H-pyrazol-5-yl)glycinamide
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~2~-(3-methoxyphenyl)-N-(3-methyl-1H-pyrazol-5-yl)glycinamide
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~2~-(3-methoxyphenyl)-N-(3-methyl-1H-pyrazol-5-yl)glycinamide
Compound characteristics
| Compound ID: | C998-0431 |
| 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~2~-(3-methoxyphenyl)-N-(3-methyl-1H-pyrazol-5-yl)glycinamide |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C18 H21 N5 O4 S2 |
| Smiles: | Cc1cc(NC(CN(C2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)c2cccc(c2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4748 |
| logD: | 1.4738 |
| logSw: | -2.5636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.843 |
| InChI Key: | ASOAGBMIMVBVQP-CABCVRRESA-N |