4-oxo-3-pentyl-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-3-pentyl-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-3-pentyl-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061336 |
| Compound Name: | 4-oxo-3-pentyl-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(NCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1572 |
| logD: | 3.1544 |
| logSw: | -3.2356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.499 |
| InChI Key: | ZIRYWOOJKKOEEF-UHFFFAOYSA-N |