(1-{[(2S)-4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S)-4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S)-4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-0553 |
| Compound Name: | (1-{[(2S)-4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C18 H21 F2 N5 O2 S |
| Smiles: | Cc1ccsc1C(N1CC(C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1332 |
| logD: | 2.1332 |
| logSw: | -2.4108 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.378 |
| InChI Key: | XFTDTOBDYAGFAI-ZDUSSCGKSA-N |