N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
Compound characteristics
| Compound ID: | C260-1312 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide |
| Molecular Weight: | 548.6 |
| Molecular Formula: | C28 H32 N6 O6 |
| Smiles: | Cc1cc(NC(CN2C(N(CCCC(NCCc3ccc(c(c3)OC)OC)=O)C(c3ccccc23)=O)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.9286 |
| logD: | 0.9258 |
| logSw: | -2.5185 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.103 |
| InChI Key: | ORRFMRKDOBVGEP-UHFFFAOYSA-N |