3-[2-(4-chlorophenyl)ethyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[2-(4-chlorophenyl)ethyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | D007-0269 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 341.77 |
| Molecular Formula: | C18 H13 Cl F N3 O |
| Smiles: | C(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)F)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.498 |
| logD: | 3.498 |
| logSw: | -3.9984 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.276 |
| InChI Key: | XCKPPYYRWKYLIP-UHFFFAOYSA-N |