4-(2H-1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
4-(2H-1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Compound characteristics
| Compound ID: | 5701-2322 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C19 H16 N2 O2 S |
| Smiles: | C1Cc2ccccc2C2=C1C(c1ccc3c(c1)OCO3)NC(N2)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.962 |
| logD: | 3.962 |
| logSw: | -4.2854 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.996 |
| InChI Key: | PJKBXAGXLCWDEV-QGZVFWFLSA-N |