3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | F797-0578 |
| Compound Name: | 3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 428.41 |
| Molecular Formula: | C22 H19 F3 N4 O2 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(CCC(NCc3cccc(c3)C(F)(F)F)=O)C=N1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.1349 |
| logD: | 3.1349 |
| logSw: | -3.2862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.747 |
| InChI Key: | HMYXUYFUEFBXHO-UHFFFAOYSA-N |