methyl 1-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
methyl 1-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4341 |
| Compound Name: | methyl 1-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 472.95 |
| Molecular Formula: | C21 H21 Cl N6 O3 S |
| Smiles: | Cc1c(cn(CCCN2C(=Nc3ccccc3C2=O)SCn2ccc(C(=O)OC)n2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1431 |
| logD: | 2.1431 |
| logSw: | -3.0638 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.82 |
| InChI Key: | AWAMJAUIQRYLKS-UHFFFAOYSA-N |