N-[2-(cyclohex-1-en-1-yl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-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: | F394-0316 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C28 H29 F N4 O3 |
| Smiles: | COc1ccc(CN2C=Nc3c4cc(ccc4n(CC(NCCC4CCCCC=4)=O)c3C2=O)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8426 |
| logD: | 3.8426 |
| logSw: | -4.0824 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.977 |
| InChI Key: | DZONBRSHZKLUAP-UHFFFAOYSA-N |