N-[rel-(3R,4S)-1-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0242 |
| Compound Name: | N-[rel-(3R,4S)-1-[(3,4-difluorophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H21 F2 N5 O |
| Smiles: | Cc1nc([C@@H]2CN(Cc3ccc(c(c3)F)F)C[C@H]2NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 2.2989 |
| logD: | 1.9024 |
| logSw: | -2.9021 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.938 |
| InChI Key: | SIOPEPXGZAGMNZ-VQIMIIECSA-N |