rel-(5aR,8aR)-7-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0020 |
| Compound Name: | rel-(5aR,8aR)-7-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C19 H24 N2 O3 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1C[C@H]2CCCC(N[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3481 |
| logD: | 1.3481 |
| logSw: | -2.0183 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.677 |
| InChI Key: | PHQWZOMWZXFKEY-BBRMVZONSA-N |