1-(2-methylpropyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Chemical Structure Depiction of
1-(2-methylpropyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
1-(2-methylpropyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Compound characteristics
| Compound ID: | 5769-0243 |
| Compound Name: | 1-(2-methylpropyl)-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C18 H21 N3 O2 S |
| Smiles: | CC(C)CN1C2CCCCC=2C(N=C1c1ccc(cc1)[N+]([O-])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7615 |
| logD: | 4.7608 |
| logSw: | -4.4104 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.261 |
| InChI Key: | YPIOIFKGDDLRCC-UHFFFAOYSA-N |