2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0327 |
| Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | COc1ccccc1NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7406 |
| logD: | 2.7395 |
| logSw: | -3.2597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.842 |
| InChI Key: | KMQQAXDXVXGETK-UHFFFAOYSA-N |