2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | SB66-0671 |
| Compound Name: | 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C19 H31 N5 O4 S |
| Smiles: | Cc1c(CCNC(CN2C(CCC[C@@H]3CN(C[C@H]23)S(C)(=O)=O)=O)=O)c(C)n(C)n1 |
| Stereo: | RELATIVE |
| logP: | -1.0578 |
| logD: | -1.0582 |
| logSw: | -1.341 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.163 |
| InChI Key: | RFDCGUVTYPHKOO-DOTOQJQBSA-N |