2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0482 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide |
| Molecular Weight: | 457.35 |
| Molecular Formula: | C20 H17 Br N4 O2 S |
| Smiles: | CCOc1ccccc1NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2883 |
| logD: | 4.2874 |
| logSw: | -4.222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.161 |
| InChI Key: | YHCLXDKEPKALKN-UHFFFAOYSA-N |