N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]benzamide
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB18-0380 |
| Compound Name: | N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(C2CCOCC2)=O)NC(c2ccccc2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.1888 |
| logD: | 1.1882 |
| logSw: | -1.8408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.325 |
| InChI Key: | VGVRUNIMZANIAA-DLBZAZTESA-N |