2-(benzylsulfanyl)-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-(benzylsulfanyl)-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G864-0062 |
| Compound Name: | 2-(benzylsulfanyl)-3-ethyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 335.43 |
| Molecular Formula: | C19 H17 N3 O S |
| Smiles: | CCN1C(=Nc2c3ccccc3[nH]c2C1=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.611 |
| logD: | 3.611 |
| logSw: | -3.7938 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.725 |
| InChI Key: | NHHSLXVBTNPSLJ-UHFFFAOYSA-N |