2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M060-0516 |
| Compound Name: | 2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 432.42 |
| Molecular Formula: | C20 H15 F3 N4 O2 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccccc1C(F)(F)F)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.9337 |
| logD: | 3.9326 |
| logSw: | -4.1704 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.495 |
| InChI Key: | LRUJQJIXUFTQCV-UHFFFAOYSA-N |