N-[(3-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-[(3-chloro-4-fluorophenyl)methyl]-2-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[(3-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: | F796-0589 |
| Compound Name: | N-[(3-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(c(c3)[Cl])F)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.7795 |
| logD: | 2.7795 |
| logSw: | -3.4087 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.769 |
| InChI Key: | UFRGNEIUQGFOIO-UHFFFAOYSA-N |