rel-(5aR,8aR)-7-(3-cyclopentylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(3-cyclopentylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(3-cyclopentylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0832 |
| Compound Name: | rel-(5aR,8aR)-7-(3-cyclopentylpropanoyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 278.39 |
| Molecular Formula: | C16 H26 N2 O2 |
| Smiles: | C1CCC(C1)CCC(N1C[C@H]2CCCC(N[C@H]2C1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.3913 |
| logD: | 1.3913 |
| logSw: | -1.6611 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.912 |
| InChI Key: | BHLOZIREWVINLB-KBPBESRZSA-N |