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]benzamide
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]benzamide
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]benzamide
Compound characteristics
| Compound ID: | SB18-1039 |
| 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]benzamide |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C22 H25 N7 O3 |
| Smiles: | CC1=CC(C)=NC(N1CC(N1C[C@H](C[C@H]1c1nc(C)n[nH]1)NC(c1ccccc1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8621 |
| logD: | 0.8614 |
| logSw: | -1.879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.162 |
| InChI Key: | VVJXJPJDRYKKPR-MSOLQXFVSA-N |