2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | C200-7772 |
| Compound Name: | 2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CC(NCc3ccc(cc3)SC)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.8839 |
| logD: | 2.8839 |
| logSw: | -3.2387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.769 |
| InChI Key: | WOLBAYGFRKIHMO-UHFFFAOYSA-N |