3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-imino-3,4-dihydroquinazoline-2-thiol
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-imino-3,4-dihydroquinazoline-2-thiol
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-imino-3,4-dihydroquinazoline-2-thiol
Compound characteristics
| Compound ID: | Y020-7992 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-imino-3,4-dihydroquinazoline-2-thiol |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(c2ccccc2N=C1S)=N |
| Stereo: | ACHIRAL |
| logP: | 2.7599 |
| logD: | 2.7599 |
| logSw: | -3.4823 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.359 |
| InChI Key: | KVONJGQLSFMRSU-UHFFFAOYSA-N |