N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M143-0650 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C23 H19 N5 O4 S |
| Smiles: | COc1ccc(cc1)c1ncc2c(ncnc2n1)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6145 |
| logD: | 3.6145 |
| logSw: | -3.7628 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.901 |
| InChI Key: | LFCGWGYRYXRTNF-UHFFFAOYSA-N |