6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1335 |
| Compound Name: | 6-iodo-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 424.26 |
| Molecular Formula: | C16 H13 I N2 O2 S |
| Smiles: | COc1ccccc1CN1C(c2cc(ccc2NC1=S)I)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9362 |
| logD: | 4.9144 |
| logSw: | -4.5677 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.948 |
| InChI Key: | HUADLZSTRWNJDG-UHFFFAOYSA-N |