N-[(3S,5S)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
N-[(3S,5S)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide
Compound characteristics
| Compound ID: | SB18-0265 |
| Compound Name: | N-[(3S,5S)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]oxane-4-carboxamide |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C19 H27 N7 O3 |
| Smiles: | Cc1cnn(CC(N2C[C@H](C[C@H]2c2nc(C)n[nH]2)NC(C2CCOCC2)=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | -0.2928 |
| logD: | -0.2935 |
| logSw: | -0.8461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.575 |
| InChI Key: | FYPKWXRZWYYBCJ-JKSUJKDBSA-N |