2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0318 |
| Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3565 |
| logD: | 3.3554 |
| logSw: | -3.6131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.034 |
| InChI Key: | BCSXAZQHAMTDDA-UHFFFAOYSA-N |