2-(3-nitrophenyl)-1-(propan-2-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Chemical Structure Depiction of
2-(3-nitrophenyl)-1-(propan-2-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
2-(3-nitrophenyl)-1-(propan-2-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Compound characteristics
| Compound ID: | 5769-0248 |
| Compound Name: | 2-(3-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=C1c1cccc(c1)[N+]([O-])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.1772 |
| logD: | 4.177 |
| logSw: | -4.3609 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.982 |
| InChI Key: | CYEZFEPOHYTATA-UHFFFAOYSA-N |