N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 5454-0077 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 483.96 |
| Molecular Formula: | C27 H22 Cl N5 O2 |
| Smiles: | COc1ccc(/C=C/C(Nc2nc3NC(=CC(c4ccccc4)n3n2)c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4023 |
| logD: | 6.3904 |
| logSw: | -6.515 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.215 |
| InChI Key: | PKTAKTANASNQGT-XMMPIXPASA-N |