7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4386-0125 |
| Compound Name: | 7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 452.64 |
| Molecular Formula: | C25 H28 N2 O2 S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(CC=C)C(=Nc3sc2C1)SCC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9591 |
| logD: | 5.9591 |
| logSw: | -5.6068 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.091 |
| InChI Key: | ZMVFRHBYIHNIDG-QGZVFWFLSA-N |