methyl 1-[({3-[3-(4-chloro-3,5-dimethyl-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-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
methyl 1-[({3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4609 |
| Compound Name: | methyl 1-[({3-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C22 H23 Cl N6 O3 S |
| Smiles: | Cc1c(c(C)n(CCCN2C(=Nc3ccccc3C2=O)SCn2ccc(C(=O)OC)n2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3502 |
| logD: | 2.3502 |
| logSw: | -3.4481 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.244 |
| InChI Key: | IAIXDVGLWDVMIO-UHFFFAOYSA-N |