3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | F797-0474 |
| Compound Name: | 3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COc1cc2c3c(C(N(CCC(Nc4cccc(c4)SC)=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2366 |
| logD: | 2.2366 |
| logSw: | -3.0451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.686 |
| InChI Key: | JBSDJODVKOPBCW-UHFFFAOYSA-N |