4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-2(1H)-one
Chemical Structure Depiction of
4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-2(1H)-one
4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-2(1H)-one
Compound characteristics
| Compound ID: | G857-0086 |
| Compound Name: | 4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-2(1H)-one |
| Molecular Weight: | 293.39 |
| Molecular Formula: | C14 H19 N3 O2 S |
| Smiles: | C1CCC2=C(C1)C(=NC(N2)=O)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4067 |
| logD: | 1.3774 |
| logSw: | -2.0261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.15 |
| InChI Key: | QIGJRMKUGXNQDZ-UHFFFAOYSA-N |