(4-chloro-2-methoxyphenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
Chemical Structure Depiction of
(4-chloro-2-methoxyphenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
(4-chloro-2-methoxyphenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone
Compound characteristics
| Compound ID: | S988-1243 |
| Compound Name: | (4-chloro-2-methoxyphenyl)[rel-(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(oxan-4-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]methanone |
| Molecular Weight: | 446.93 |
| Molecular Formula: | C22 H27 Cl N4 O4 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2ccc(cc2OC)[Cl])=O)C2CCOCC2)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4933 |
| logD: | -3.2043 |
| logSw: | -3.2062 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.196 |
| InChI Key: | MTPNKOXQPWJQFX-NYHFZMIOSA-N |