N-[(3S,5S)-1-(2-ethylbutanoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(2-ethylbutanoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-(2-ethylbutanoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
Compound ID: | SB18-1279 |
Compound Name: | N-[(3S,5S)-1-(2-ethylbutanoyl)-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
Molecular Weight: | 377.49 |
Molecular Formula: | C19 H31 N5 O3 |
Smiles: | CCC(CC)C(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(C1CCOCC1)=O)=O |
Stereo: | ABSOLUTE |
logP: | 1.4666 |
logD: | 1.4659 |
logSw: | -1.5983 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.597 |
InChI Key: | IGRVOXUYMXXMFX-JKSUJKDBSA-N |