N-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061427 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)NC(c1ccc2C(N(CC=C)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2813 |
| logD: | 4.2737 |
| logSw: | -4.2554 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.659 |
| InChI Key: | LGJCADYWBFGLFJ-UHFFFAOYSA-N |