N-{[4-(methylsulfanyl)phenyl]methyl}-2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | F796-0540 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | CSc1ccc(CNC(CN2C=Nc3c4ccccc4[nH]c3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4151 |
| logD: | 2.4151 |
| logSw: | -2.7781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.769 |
| InChI Key: | KVQPJHWKSQTIJA-UHFFFAOYSA-N |