2-(4-nitrophenyl)-1-(propan-2-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Chemical Structure Depiction of
2-(4-nitrophenyl)-1-(propan-2-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
2-(4-nitrophenyl)-1-(propan-2-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Compound characteristics
| Compound ID: | 5769-0249 |
| Compound Name: | 2-(4-nitrophenyl)-1-(propan-2-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C17 H19 N3 O2 S |
| Smiles: | CC(C)N1C2CCCCC=2C(N=C1c1ccc(cc1)[N+]([O-])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.1828 |
| logD: | 4.1791 |
| logSw: | -4.2526 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.982 |
| InChI Key: | LCTHINNEZZLRFE-UHFFFAOYSA-N |