N-[(3-chloro-4-fluorophenyl)methyl]-2-(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-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | F796-0547 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 384.8 |
| Molecular Formula: | C19 H14 Cl F N4 O2 |
| Smiles: | C(c1ccc(c(c1)[Cl])F)NC(CN1C=Nc2c3ccccc3[nH]c2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3107 |
| logD: | 2.3107 |
| logSw: | -3.4381 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.769 |
| InChI Key: | CANWUXPCAXSNPW-UHFFFAOYSA-N |