N-(1-benzylpiperidin-4-yl)-3-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]propanamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-3-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]propanamide
N-(1-benzylpiperidin-4-yl)-3-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]propanamide
Compound characteristics
| Compound ID: | C260-1039 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-3-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]propanamide |
| Molecular Weight: | 543.63 |
| Molecular Formula: | C29 H33 N7 O4 |
| Smiles: | Cc1cc(NC(CN2C(N(CCC(NC3CCN(CC3)Cc3ccccc3)=O)C(c3ccccc23)=O)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.1383 |
| logD: | 0.5805 |
| logSw: | -3.1717 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.267 |
| InChI Key: | YBQWYLMKQSKBIN-UHFFFAOYSA-N |