N-[rel-(3R,4S)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0434 |
| Compound Name: | N-[rel-(3R,4S)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | CC(N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4425 |
| logD: | -0.7517 |
| logSw: | -2.4369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.048 |
| InChI Key: | SUMPHRZQOIFMIH-OALUTQOASA-N |