ethyl 2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
ethyl 2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
ethyl 2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | G856-1184 |
| Compound Name: | ethyl 2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 411.45 |
| Molecular Formula: | C21 H18 F N3 O3 S |
| Smiles: | CCOC(C(C)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9148 |
| logD: | 3.9148 |
| logSw: | -4.0932 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.143 |
| InChI Key: | WSVMQUMBHFFBET-LBPRGKRZSA-N |