3-benzyl-2-[(prop-2-yn-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-[(prop-2-yn-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-benzyl-2-[(prop-2-yn-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3807-1442 |
| Compound Name: | 3-benzyl-2-[(prop-2-yn-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 366.5 |
| Molecular Formula: | C20 H18 N2 O S2 |
| Smiles: | C#CCSC1=Nc2c(C(N1Cc1ccccc1)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.85 |
| logD: | 4.85 |
| logSw: | -4.9109 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8655 |
| InChI Key: | VSYQATWPRZFVCY-UHFFFAOYSA-N |