1-benzyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Chemical Structure Depiction of
1-benzyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
1-benzyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Compound characteristics
| Compound ID: | 5769-0221 |
| Compound Name: | 1-benzyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | C1CCC2=C(C1)C(N=C(c1ccc(cc1)[N+]([O-])=O)N2Cc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1223 |
| logD: | 5.1219 |
| logSw: | -5.4338 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.989 |
| InChI Key: | DUYCCSGNSGJQSS-UHFFFAOYSA-N |