N-[2-(4-chlorophenyl)ethyl]-3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[2-(4-chlorophenyl)ethyl]-3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | C200-7773 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H18 Cl F N4 O2 |
| Smiles: | C(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)F)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3163 |
| logD: | 2.3163 |
| logSw: | -3.4136 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.589 |
| InChI Key: | XSTYYSOCALZCMK-UHFFFAOYSA-N |