6-fluoro-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-fluoro-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-fluoro-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0420 |
| Compound Name: | 6-fluoro-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C16 H13 F N2 O2 S |
| Smiles: | COc1ccc(CN2C(c3cc(ccc3NC2=S)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6294 |
| logD: | 3.6076 |
| logSw: | -4.0565 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.862 |
| InChI Key: | YRQXHILMXQMZDT-UHFFFAOYSA-N |