rel-(5aR,8aR)-7-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0859 |
| Compound Name: | rel-(5aR,8aR)-7-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C19 H24 N4 O2 |
| Smiles: | COc1ccc(cc1)c1c(CN2C[C@H]3CCCC(N[C@H]3C2)=O)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4336 |
| logD: | -1.2071 |
| logSw: | -2.2045 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.699 |
| InChI Key: | VGHITYZEBSBEII-YOEHRIQHSA-N |