ethyl 4-(2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M143-0596 |
| Compound Name: | ethyl 4-(2-{[7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1c2cnc(c3ccc(cc3)OC)nc2ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6215 |
| logD: | 4.6214 |
| logSw: | -4.1014 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.218 |
| InChI Key: | MCHSTZWCMLUJJG-UHFFFAOYSA-N |