1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-0645 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C21 H25 F2 N5 O4 |
| Smiles: | COc1ccc(CC(N2CC(C[C@H]2Cn2cc(C(N3CCOCC3)=O)nn2)(F)F)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.03 |
| logD: | 1.03 |
| logSw: | -1.6916 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.919 |
| InChI Key: | CMKTYZFYPYTMLS-MRXNPFEDSA-N |