1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Chemical Structure Depiction of
1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Compound characteristics
| Compound ID: | 5436-0801 |
| Compound Name: | 1-[2-(4-methoxyphenyl)ethyl]-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | COc1ccc(CCN2C3CCCCC=3C(N=C2c2cccc(c2)[N+]([O-])=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1981 |
| logD: | 5.198 |
| logSw: | -5.0986 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.512 |
| InChI Key: | XNHYRXQXYYOQPJ-UHFFFAOYSA-N |