(8E)-4-(2H-1,3-benzodioxol-5-yl)-8-[(2H-1,3-benzodioxol-5-yl)methylidene]-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Chemical Structure Depiction of
(8E)-4-(2H-1,3-benzodioxol-5-yl)-8-[(2H-1,3-benzodioxol-5-yl)methylidene]-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
(8E)-4-(2H-1,3-benzodioxol-5-yl)-8-[(2H-1,3-benzodioxol-5-yl)methylidene]-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Compound characteristics
| Compound ID: | 5701-2277 |
| Compound Name: | (8E)-4-(2H-1,3-benzodioxol-5-yl)-8-[(2H-1,3-benzodioxol-5-yl)methylidene]-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C24 H22 N2 O4 S |
| Smiles: | CC1C/C(=C\c2ccc3c(c2)OCO3)C2=C(C1)C(c1ccc3c(c1)OCO3)NC(N2)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1214 |
| logD: | 5.1214 |
| logSw: | -5.1523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.111 |
| InChI Key: | FTAJQUDFPIRMPD-UHFFFAOYSA-N |