4-oxo-N-(2-phenylethyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-N-(2-phenylethyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-N-(2-phenylethyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061428 |
| Compound Name: | 4-oxo-N-(2-phenylethyl)-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: | C=CCN1C(c2ccc(cc2NC1=S)C(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8933 |
| logD: | 2.8916 |
| logSw: | -3.6819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.823 |
| InChI Key: | CKPUWHXIKZBYRB-UHFFFAOYSA-N |