rel-(5aR,8aR)-7-(3-fluorobenzene-1-sulfonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(3-fluorobenzene-1-sulfonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(3-fluorobenzene-1-sulfonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0967 |
| Compound Name: | rel-(5aR,8aR)-7-(3-fluorobenzene-1-sulfonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C21 H22 F2 N2 O3 S |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)S(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.0727 |
| logD: | 3.0727 |
| logSw: | -3.3692 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.247 |
| InChI Key: | YCTGNVZLGSRVSW-OXJNMPFZSA-N |