N-[(2-chlorophenyl)methyl]-4-{[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[(2-chlorophenyl)methyl]-4-{[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C260-3099 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 557.01 |
| Molecular Formula: | C29 H25 Cl N6 O4 |
| Smiles: | Cc1cc(NC(CN2C(N(Cc3ccc(cc3)C(NCc3ccccc3[Cl])=O)C(c3ccccc23)=O)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.9713 |
| logD: | 3.9685 |
| logSw: | -4.3404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.964 |
| InChI Key: | TWRKPOMYBQMEAP-UHFFFAOYSA-N |