1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-0555 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C21 H25 F2 N5 O3 |
| Smiles: | COc1cccc(CC(N2CC(C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)(F)F)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.02 |
| logD: | 2.02 |
| logSw: | -2.3382 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.376 |
| InChI Key: | YVFKGAHHVGVIPH-MRXNPFEDSA-N |