N-[(3S,5S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0322 |
| Compound Name: | N-[(3S,5S)-1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C23 H25 N5 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2ccc3c(CCO3)c2)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.397 |
| logD: | 2.3734 |
| logSw: | -2.9058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.712 |
| InChI Key: | CTRCJTCHSYOHIE-VQTJNVASSA-N |