N-[(3S,5S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-0195 |
| Compound Name: | N-[(3S,5S)-1-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C20 H29 N7 O3 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(CN1C(C)=CC(C)=NC1=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8903 |
| logD: | 0.8896 |
| logSw: | -1.5448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.22 |
| InChI Key: | MFOKMTUWQCLNDO-CVEARBPZSA-N |