[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | SB34-0106 |
| Compound Name: | [rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C20 H28 F N5 O2 |
| Smiles: | Cc1cc(C(N2C[C@@H](CF)[C@@H](C2)c2nc(C3CC3)n[nH]2)=O)c(C)n1CCOC |
| Stereo: | RELATIVE |
| logP: | 1.6458 |
| logD: | 1.644 |
| logSw: | -2.4467 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.67 |
| InChI Key: | CWQDRXCTEJWZTB-RDJZCZTQSA-N |