1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(1H-pyrazol-1-yl)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-(1H-pyrazol-1-yl)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-(1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-0671 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 409.39 |
| Molecular Formula: | C17 H21 F2 N7 O3 |
| Smiles: | C1[C@@H](Cn2cc(C(N3CCOCC3)=O)nn2)N(CC1(F)F)C(Cn1cccn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.9505 |
| logD: | -0.9505 |
| logSw: | -0.0584 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.17 |
| InChI Key: | GXVMCAAWBUCKRC-CYBMUJFWSA-N |