2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M060-0116 |
| Compound Name: | 2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 416.42 |
| Molecular Formula: | C20 H15 F3 N4 O S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccccc1C(F)(F)F)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.3634 |
| logD: | 4.3616 |
| logSw: | -4.3588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.951 |
| InChI Key: | KIBKLVMGBBQZBX-UHFFFAOYSA-N |