N-benzyl-1-{[(2S)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1061 |
| Compound Name: | N-benzyl-1-{[(2S)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C25 H31 N5 O2 |
| Smiles: | CC(C)Oc1ccc(CN2CCC[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.4512 |
| logD: | 3.3639 |
| logSw: | -3.4535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.878 |
| InChI Key: | URWNNFTTYCFPCX-QFIPXVFZSA-N |