({4-oxo-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({4-oxo-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetic acid
({4-oxo-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | G856-1330 |
| Compound Name: | ({4-oxo-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetic acid |
| Molecular Weight: | 435.38 |
| Molecular Formula: | C19 H12 F3 N3 O4 S |
| Smiles: | C(C(O)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3286 |
| logD: | 0.748 |
| logSw: | -3.6488 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.71 |
| InChI Key: | LLFZUQPWGZFTCZ-UHFFFAOYSA-N |