(1-{[(2S)-4,4-difluoro-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(morpholin-4-yl)methanone
Chemical Structure Depiction of
(1-{[(2S)-4,4-difluoro-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(morpholin-4-yl)methanone
(1-{[(2S)-4,4-difluoro-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | SB36-0641 |
| Compound Name: | (1-{[(2S)-4,4-difluoro-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(morpholin-4-yl)methanone |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C18 H21 F2 N5 O3 S |
| Smiles: | Cc1ccc(C(N2CC(C[C@H]2Cn2cc(C(N3CCOCC3)=O)nn2)(F)F)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 1.5318 |
| logD: | 1.5318 |
| logSw: | -2.0764 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.921 |
| InChI Key: | CRTVLEZROHBFMT-ZDUSSCGKSA-N |