1-{[(2S)-4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0701 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 413.44 |
| Molecular Formula: | C17 H21 F2 N5 O3 S |
| Smiles: | Cc1ccsc1C(N1CC(C[C@H]1Cn1cc(C(NCCOC)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3971 |
| logD: | 1.3971 |
| logSw: | -2.1776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.233 |
| InChI Key: | NBHVONUXDYAXHB-LBPRGKRZSA-N |