2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F796-0638 |
| Compound Name: | 2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 460.41 |
| Molecular Formula: | C22 H19 F3 N4 O4 |
| Smiles: | COc1cc2c3c(C(N(CC(NCc4cccc(c4)C(F)(F)F)=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.103 |
| logD: | 2.103 |
| logSw: | -2.9177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.029 |
| InChI Key: | WICLYJGYPUEVOP-UHFFFAOYSA-N |