1-(2-methylphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Chemical Structure Depiction of
1-(2-methylphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
1-(2-methylphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Compound characteristics
| Compound ID: | 5769-0247 |
| Compound Name: | 1-(2-methylphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | Cc1ccccc1N1C2CCCCC=2C(N=C1c1cccc(c1)[N+]([O-])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0691 |
| logD: | 5.0309 |
| logSw: | -4.7337 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.077 |
| InChI Key: | CEJCRAFNSUGBNI-UHFFFAOYSA-N |