3-(4-methoxyphenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(4-methoxyphenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(4-methoxyphenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062040 |
| Compound Name: | 3-(4-methoxyphenyl)-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(NCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2393 |
| logD: | 2.2255 |
| logSw: | -2.7915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.181 |
| InChI Key: | RTLGTNBHXFMBPX-UHFFFAOYSA-N |