2-{[(4-bromophenyl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1331 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 546.36 |
| Molecular Formula: | C24 H15 Br F3 N3 O2 S |
| Smiles: | C(c1ccc(cc1)[Br])SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3976 |
| logD: | 6.3976 |
| logSw: | -6.259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.055 |
| InChI Key: | NLZXQEPYBXGUQQ-UHFFFAOYSA-N |