2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D285-0050 |
| Compound Name: | 2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | CC1CCN(CC1)C(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3136 |
| logD: | -1.2394 |
| logSw: | -2.7966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.831 |
| InChI Key: | AMACRDVEVWDOKA-UHFFFAOYSA-N |