3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | F797-0626 |
| Compound Name: | 3-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 474.44 |
| Molecular Formula: | C23 H21 F3 N4 O4 |
| Smiles: | COc1cc2c3c(C(N(CCC(NCc4cccc(c4)C(F)(F)F)=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2746 |
| logD: | 2.2746 |
| logSw: | -2.8626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.008 |
| InChI Key: | GHRAAHRJOPHNTR-UHFFFAOYSA-N |