3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-iodo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-iodo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-iodo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0072 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-iodo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 438.24 |
| Molecular Formula: | C16 H11 I N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(c2cc(ccc2NC1=S)I)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8553 |
| logD: | 4.8336 |
| logSw: | -4.7358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.433 |
| InChI Key: | MIHNPIDVZAXKLP-UHFFFAOYSA-N |