3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0634 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C23 H18 N4 O4 S |
| Smiles: | C(c1cccnc1)NC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7194 |
| logD: | 2.7184 |
| logSw: | -3.1924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.365 |
| InChI Key: | IHDRSNKORZBCGO-UHFFFAOYSA-N |