4-imino-3-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazoline-2-thiol
Chemical Structure Depiction of
4-imino-3-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazoline-2-thiol
4-imino-3-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazoline-2-thiol
Compound characteristics
| Compound ID: | Y020-7990 |
| Compound Name: | 4-imino-3-[(4-methoxyphenyl)methyl]-3,4-dihydroquinazoline-2-thiol |
| Molecular Weight: | 297.38 |
| Molecular Formula: | C16 H15 N3 O S |
| Smiles: | COc1ccc(CN2C(c3ccccc3N=C2S)=N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8711 |
| logD: | 2.8711 |
| logSw: | -3.495 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.788 |
| InChI Key: | NQELLUNTFTXQNO-UHFFFAOYSA-N |