N-[(2-chloro-4-fluorophenyl)methyl]-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[(2-chloro-4-fluorophenyl)methyl]-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | F796-0595 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C20 H16 Cl F N4 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CC(NCc3ccc(cc3[Cl])F)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.1875 |
| logD: | 3.1875 |
| logSw: | -3.3732 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.769 |
| InChI Key: | FCOPYHJDAHXHQY-UHFFFAOYSA-N |