2-(4-nitrophenyl)-1-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Chemical Structure Depiction of
2-(4-nitrophenyl)-1-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
2-(4-nitrophenyl)-1-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Compound characteristics
| Compound ID: | 5769-0346 |
| Compound Name: | 2-(4-nitrophenyl)-1-(prop-2-en-1-yl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | C=CCN1C2CCCCC=2C(N=C1c1ccc(cc1)[N+]([O-])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0061 |
| logD: | 4.006 |
| logSw: | -4.2887 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.239 |
| InChI Key: | GLNKICJPOOVXIG-UHFFFAOYSA-N |