2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1192 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 435.91 |
| Molecular Formula: | C23 H15 Cl F N3 O S |
| Smiles: | C(c1ccc(cc1)[Cl])SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9962 |
| logD: | 4.9962 |
| logSw: | -5.2815 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.118 |
| InChI Key: | YUYJWUXXKFUXQE-UHFFFAOYSA-N |