2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M060-0326 |
| Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 462.45 |
| Molecular Formula: | C21 H17 F3 N4 O3 S |
| Smiles: | COc1cc2c3c(c(ncn3)SCC(Nc3ccccc3C(F)(F)F)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5031 |
| logD: | 3.502 |
| logSw: | -3.9342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.212 |
| InChI Key: | HBQREUUYEHFAQH-UHFFFAOYSA-N |