N-(4-chloro-2-fluorophenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | F394-0296 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 508.91 |
| Molecular Formula: | C26 H19 Cl F2 N4 O3 |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(Nc4ccc(cc4F)[Cl])=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7416 |
| logD: | 4.7199 |
| logSw: | -4.8442 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.924 |
| InChI Key: | OFHCXVWRZLSYTI-UHFFFAOYSA-N |