N-[(2-methoxyphenyl)methyl]-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-methoxyphenyl)methyl]-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061439 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-4-oxo-3-(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: | COc1ccccc1CNC(c1ccc2C(N(CC=C)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1811 |
| logD: | 3.1793 |
| logSw: | -3.5741 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.612 |
| InChI Key: | PYEVQQFYDHILGC-UHFFFAOYSA-N |