rel-(5aR,8aR)-1-benzyl-7-(5-methylthiophene-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(5-methylthiophene-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(5-methylthiophene-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0255 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(5-methylthiophene-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | Cc1ccc(C(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)s1 |
| Stereo: | RELATIVE |
| logP: | 3.3917 |
| logD: | 3.3917 |
| logSw: | -3.6107 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.203 |
| InChI Key: | XYTIJBNUEXMJMS-ZWKOTPCHSA-N |