2-(benzylsulfanyl)-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-(benzylsulfanyl)-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1226 |
| Compound Name: | 2-(benzylsulfanyl)-3-(3-chlorophenyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 417.92 |
| Molecular Formula: | C23 H16 Cl N3 O S |
| Smiles: | C(c1ccccc1)SC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.012 |
| logD: | 5.012 |
| logSw: | -5.2331 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.118 |
| InChI Key: | SHKYMCJLYJHQIX-UHFFFAOYSA-N |