N-benzyl-1-{[(2S)-1-(2,3-dimethoxybenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(2,3-dimethoxybenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(2,3-dimethoxybenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1002 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(2,3-dimethoxybenzoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C24 H27 N5 O4 |
| Smiles: | COc1cccc(C(N2CCC[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)=O)c1OC |
| Stereo: | ABSOLUTE |
| logP: | 2.2077 |
| logD: | 2.2077 |
| logSw: | -2.7869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.173 |
| InChI Key: | UEEHFSIXHVEOKV-SFHVURJKSA-N |