[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone
[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB23-0887 |
| Compound Name: | [rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C18 H22 N6 O2 S |
| Smiles: | Cc1nc([C@]23CCN(C[C@@H]3CN(C2)C(C2CC2)=O)C(c2cscn2)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 0.8821 |
| logD: | 0.8816 |
| logSw: | -2.0465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.979 |
| InChI Key: | TXNGRHUAAHFTDM-FZKQIMNGSA-N |