N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(5-chloro-2-methylphenyl)-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: | F394-0322 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{8-fluoro-3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 504.95 |
| Molecular Formula: | C27 H22 Cl F N4 O3 |
| Smiles: | Cc1ccc(cc1NC(Cn1c2C(N(Cc3ccc(cc3)OC)C=Nc2c2cc(ccc12)F)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5768 |
| logD: | 4.5762 |
| logSw: | -4.6216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.924 |
| InChI Key: | ZHBQSMQVEDYIGG-UHFFFAOYSA-N |