2-(butylsulfanyl)-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-(butylsulfanyl)-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | G856-0854 |
| Compound Name: | 2-(butylsulfanyl)-3-phenyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C20 H19 N3 O S |
| Smiles: | CCCCSC1=Nc2c3ccccc3[nH]c2C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5691 |
| logD: | 4.5691 |
| logSw: | -4.3222 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.389 |
| InChI Key: | UPXROKDNJBPRLN-UHFFFAOYSA-N |