4-(4-chlorophenyl)-2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0887 |
| Compound Name: | 4-(4-chlorophenyl)-2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 397.88 |
| Molecular Formula: | C20 H16 Cl N3 O2 S |
| Smiles: | Cc1cccc(c1)OCCSC1NC(C(C#N)=C(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6106 |
| logD: | 1.0422 |
| logSw: | -4.7468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.856 |
| InChI Key: | BDFDFQVAAMKOIM-UHFFFAOYSA-N |