3-(prop-2-en-1-yl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(prop-2-en-1-yl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(prop-2-en-1-yl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0060900 |
| Compound Name: | 3-(prop-2-en-1-yl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | C=CCN1C(c2ccc(cc2NC1=S)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0036 |
| logD: | 2.0033 |
| logSw: | -2.9366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.582 |
| InChI Key: | AWTRIPYHVDEZPH-UHFFFAOYSA-N |