cyclopropyl[rel-(3aR,7aS)-5-[(2,4-dimethoxyphenyl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-5-[(2,4-dimethoxyphenyl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-5-[(2,4-dimethoxyphenyl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | SB23-0923 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-5-[(2,4-dimethoxyphenyl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | Cc1nc([C@]23CCN(Cc4ccc(cc4OC)OC)C[C@@H]3CN(C2)C(C2CC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2456 |
| logD: | 1.0808 |
| logSw: | -2.8498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.609 |
| InChI Key: | WHDAZTIQNBWCIS-FDDCHVKYSA-N |