2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-[(naphthalen-1-yl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-[(naphthalen-1-yl)methyl]pyrimidin-4(3H)-one
2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-[(naphthalen-1-yl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-3921 |
| Compound Name: | 2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-6-[(naphthalen-1-yl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C25 H24 N2 O2 S |
| Smiles: | Cc1cc(C)cc(c1)OCCSC1NC(C=C(Cc2cccc3ccccc23)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7301 |
| logD: | 5.2927 |
| logSw: | -6.6255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.782 |
| InChI Key: | MNEGRANSULPLLA-UHFFFAOYSA-N |