N-[(3S,5S)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0214 |
| Compound Name: | N-[(3S,5S)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C19 H28 N6 O2 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2cccn2C)NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.7779 |
| logD: | 0.7692 |
| logSw: | -1.7427 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.473 |
| InChI Key: | GNJVPALAYTUBAW-DOTOQJQBSA-N |