3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0708 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | Cc1ccc(CNC(c2ccc3C(N(Cc4ccc5c(c4)OCO5)C(Nc3c2)=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3705 |
| logD: | 4.3696 |
| logSw: | -4.2778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.847 |
| InChI Key: | YLPDAQHEJZKGAV-UHFFFAOYSA-N |