3-[(2-methoxyphenyl)methyl]-4-oxo-N-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2-methoxyphenyl)methyl]-4-oxo-N-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2-methoxyphenyl)methyl]-4-oxo-N-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0233 |
| Compound Name: | 3-[(2-methoxyphenyl)methyl]-4-oxo-N-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(NCC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8576 |
| logD: | 2.8568 |
| logSw: | -3.5841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.475 |
| InChI Key: | PLZBUVAMTHWOOC-UHFFFAOYSA-N |