rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0378 |
| Compound Name: | rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(c2c(Cn3cccn3)c(C)on2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0075 |
| logD: | 2.0074 |
| logSw: | -2.1673 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.939 |
| InChI Key: | DURRAVWZVJRSSD-UNMCSNQZSA-N |