3-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0060880 |
| Compound Name: | 3-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | C1CCN(C1)C(c1ccc2C(N(CCc3ccccc3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2188 |
| logD: | 3.2173 |
| logSw: | -3.593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.311 |
| InChI Key: | YFZVOGVSUOFCGR-UHFFFAOYSA-N |