2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}acetamide
2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F796-0537 |
| Compound Name: | 2-(4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C22 H22 N4 O2 |
| Smiles: | CC(C)c1ccc(CNC(CN2C=Nc3c4ccccc4[nH]c3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.034 |
| logD: | 3.034 |
| logSw: | -3.2151 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.769 |
| InChI Key: | OCBHFQKXPYWDIO-UHFFFAOYSA-N |