ethyl 2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
ethyl 2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | G856-0920 |
| Compound Name: | ethyl 2-{[3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCOC(C(C)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3091 |
| logD: | 4.3091 |
| logSw: | -4.1718 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.143 |
| InChI Key: | RWVZYWZDZRBUSG-AWEZNQCLSA-N |