N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(phenoxyacetyl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(phenoxyacetyl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(phenoxyacetyl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-1324 |
| Compound Name: | N-[(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(phenoxyacetyl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C21 H27 N5 O4 |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2C(COc2ccccc2)=O)NC(C2CCOCC2)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9339 |
| logD: | 0.9332 |
| logSw: | -1.5772 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.297 |
| InChI Key: | DIBNXRZKOSPKKI-FUHWJXTLSA-N |