2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M060-0269 |
| Compound Name: | 2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C21 H19 F N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CSc1c2c(c3cc(ccc3[nH]2)F)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.839 |
| logD: | 2.838 |
| logSw: | -3.3578 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.627 |
| InChI Key: | NBZWAZRWXQGYGE-UHFFFAOYSA-N |