2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-ethyl-6-hydroxy-3-phenylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-ethyl-6-hydroxy-3-phenylpyrimidin-4(3H)-one
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-ethyl-6-hydroxy-3-phenylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 6997-0784 |
| Compound Name: | 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-5-ethyl-6-hydroxy-3-phenylpyrimidin-4(3H)-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCC1=C(N=C(N(C1=O)c1ccccc1)SCC(N1CCc2ccccc12)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.9534 |
| logD: | -0.4419 |
| logSw: | -3.3025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.753 |
| InChI Key: | YPFUZSULLWEDEG-UHFFFAOYSA-N |