3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-[(pyridin-2-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-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0633 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C23 H18 N4 O4 S |
| Smiles: | C(c1ccccn1)NC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0373 |
| logD: | 3.0364 |
| logSw: | -3.4995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.39 |
| InChI Key: | DPOMQIPSTGESOC-UHFFFAOYSA-N |