N-[2-(4-methylphenyl)ethyl]-4-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-4-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
N-[2-(4-methylphenyl)ethyl]-4-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
Compound characteristics
| Compound ID: | C260-1955 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-4-[1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C27 H30 N6 O4 |
| Smiles: | Cc1ccc(CCNC(CCCN2C(c3ccccc3N(CC(Nc3cc(C)n[nH]3)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3314 |
| logD: | 1.3309 |
| logSw: | -2.5055 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.842 |
| InChI Key: | HVFSSWKHZSMOAM-UHFFFAOYSA-N |