3-(4-chlorophenyl)-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-chlorophenyl)-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-1270 |
| Compound Name: | 3-(4-chlorophenyl)-2-(methylsulfanyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 341.82 |
| Molecular Formula: | C17 H12 Cl N3 O S |
| Smiles: | CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7171 |
| logD: | 3.7171 |
| logSw: | -4.3641 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.389 |
| InChI Key: | UILBYTAQZXYOPD-UHFFFAOYSA-N |