N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | F797-0532 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C20 H16 Cl F N4 O2 |
| Smiles: | C(CN1C=Nc2c3ccccc3[nH]c2C1=O)C(NCc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4823 |
| logD: | 2.4823 |
| logSw: | -3.533 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.747 |
| InChI Key: | PHEVVFMSMQKQFJ-UHFFFAOYSA-N |