2-{[(2-chlorophenyl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1332 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 501.91 |
| Molecular Formula: | C24 H15 Cl F3 N3 O2 S |
| Smiles: | C(c1ccccc1[Cl])SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5 |
| logD: | 6.5 |
| logSw: | -6.2608 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.055 |
| InChI Key: | WCCPNKZLXWAZQL-UHFFFAOYSA-N |