1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-ethoxyethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-ethoxyethan-1-one
1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-ethoxyethan-1-one
Compound characteristics
| Compound ID: | SB21-1404 |
| Compound Name: | 1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-ethoxyethan-1-one |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C20 H24 F N5 O3 |
| Smiles: | CCOCC(N1C[C@H](C[C@H]1Cn1cc(C(N2CCc3ccccc23)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1465 |
| logD: | 1.1465 |
| logSw: | -1.7359 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.827 |
| InChI Key: | ATLHFKTWBUFCNJ-JKSUJKDBSA-N |