3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3879 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CCCCC(CC)CNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6161 |
| logD: | 5.6152 |
| logSw: | -5.5059 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.118 |
| InChI Key: | CXFVISQYVJAQRM-INIZCTEOSA-N |