ethyl {[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
ethyl {[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | G856-0919 |
| Compound Name: | ethyl {[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CCOC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6824 |
| logD: | 3.6824 |
| logSw: | -3.986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.548 |
| InChI Key: | LJXRQWWSWQGNIR-UHFFFAOYSA-N |