N-[(3S,5S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-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-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0264 |
| Compound Name: | N-[(3S,5S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C20 H31 N7 O2 |
| Smiles: | CCn1cc(CN2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(C2CCOCC2)=O)c(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.2006 |
| logD: | -3.1007 |
| logSw: | -0.9735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.43 |
| InChI Key: | LPVSBVFJIANBBG-ZWKOTPCHSA-N |