8-benzylidene-2-(1,3-dimethyl-1H-pyrazol-5-yl)-12-phenyl-8,10,11,12-tetrahydro-9H-[1]benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
8-benzylidene-2-(1,3-dimethyl-1H-pyrazol-5-yl)-12-phenyl-8,10,11,12-tetrahydro-9H-[1]benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8-benzylidene-2-(1,3-dimethyl-1H-pyrazol-5-yl)-12-phenyl-8,10,11,12-tetrahydro-9H-[1]benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-7253 |
| Compound Name: | 8-benzylidene-2-(1,3-dimethyl-1H-pyrazol-5-yl)-12-phenyl-8,10,11,12-tetrahydro-9H-[1]benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 486.58 |
| Molecular Formula: | C30 H26 N6 O |
| Smiles: | Cc1cc(c2nc3C4C(C5CCC/C(=C\c6ccccc6)C=5OC=4N=Cn3n2)c2ccccc2)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6702 |
| logD: | 4.6694 |
| logSw: | -4.6958 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.034 |
| InChI Key: | IUKFZTGAEXLMPS-VWLOTQADSA-N |