2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methoxyphenyl)methyl]acetamide
2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F394-0362 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-8-fluoro-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 504.95 |
| Molecular Formula: | C27 H22 Cl F N4 O3 |
| Smiles: | COc1ccc(CNC(Cn2c3C(N(Cc4ccccc4[Cl])C=Nc3c3cc(ccc23)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5159 |
| logD: | 4.5159 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.944 |
| InChI Key: | VRADKBGUJJSSMV-UHFFFAOYSA-N |