3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | F797-0170 |
| Compound Name: | 3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCC(Nc3cccc(c3)SC)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.0969 |
| logD: | 3.0969 |
| logSw: | -3.3054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.425 |
| InChI Key: | KPGURJZZVLZNQO-UHFFFAOYSA-N |