2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-(4-methylphenyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-(4-methylphenyl)pyrimidin-4(3H)-one
2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-(4-methylphenyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 6997-0916 |
| Compound Name: | 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-6-hydroxy-5-methyl-3-(4-methylphenyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CC1=C(N=C(N(C1=O)c1ccc(C)cc1)SCC(N1CCc2ccccc12)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.1132 |
| logD: | -0.2166 |
| logSw: | -3.254 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.753 |
| InChI Key: | FLICKVZEJRDQQZ-UHFFFAOYSA-N |