5-benzyl-6-methyl-2-[(2-{4-[(propan-2-yl)oxy]phenoxy}ethyl)sulfanyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-benzyl-6-methyl-2-[(2-{4-[(propan-2-yl)oxy]phenoxy}ethyl)sulfanyl]pyrimidin-4(3H)-one
5-benzyl-6-methyl-2-[(2-{4-[(propan-2-yl)oxy]phenoxy}ethyl)sulfanyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0082 |
| Compound Name: | 5-benzyl-6-methyl-2-[(2-{4-[(propan-2-yl)oxy]phenoxy}ethyl)sulfanyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | CC(C)Oc1ccc(cc1)OCCSC1NC(C(Cc2ccccc2)=C(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4923 |
| logD: | 4.4051 |
| logSw: | -4.2769 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.101 |
| InChI Key: | STTIIVUYLSNVBX-UHFFFAOYSA-N |