3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0709 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | C(CNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8806 |
| logD: | 3.8798 |
| logSw: | -4.2026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.688 |
| InChI Key: | MHSBDYYEWVLEHL-UHFFFAOYSA-N |