[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}methanone
Compound characteristics
| Compound ID: | S996-0291 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]{5-methyl-4-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazol-3-yl}methanone |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C19 H27 N5 O5 S |
| Smiles: | Cc1cnn(Cc2c(C(N3CC[C@@H]4CN(C[C@@]4(C3)CO)S(C)(=O)=O)=O)noc2C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2241 |
| logD: | -0.2242 |
| logSw: | -1.1098 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.109 |
| InChI Key: | BTVIVWIFTZBTJP-DNVCBOLYSA-N |