3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(4-methoxyphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(4-methoxyphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(4-methoxyphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4309 |
| Compound Name: | 3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(4-methoxyphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | COc1ccc(CSC2=Nc3ccccc3C(N2CCn2cc(cn2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3713 |
| logD: | 3.3713 |
| logSw: | -3.8371 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.049 |
| InChI Key: | AQGNJAZGELVZRX-UHFFFAOYSA-N |