N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | M179-3083 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)c1cc(ncn1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5542 |
| logD: | 3.5541 |
| logSw: | -3.7326 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.83 |
| InChI Key: | TUJFTSGEDWWPLA-UHFFFAOYSA-N |