N-[(2-chloro-4-fluorophenyl)methyl]-3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-[(2-chloro-4-fluorophenyl)methyl]-3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | F797-0580 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-3-(8-methyl-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: | Cc1ccc2c(c1)c1c(C(N(CCC(NCc3ccc(cc3[Cl])F)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.3591 |
| logD: | 3.3591 |
| logSw: | -3.529 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.747 |
| InChI Key: | XXEVMCAJHTUCCG-UHFFFAOYSA-N |