2-[(2,6-dimethylphenoxy)methyl]-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-[1]benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Chemical Structure Depiction of
2-[(2,6-dimethylphenoxy)methyl]-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-[1]benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
2-[(2,6-dimethylphenoxy)methyl]-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-[1]benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Compound characteristics
| Compound ID: | IB09-4051 |
| Compound Name: | 2-[(2,6-dimethylphenoxy)methyl]-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-[1]benzopyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C30 H30 N4 O4 |
| Smiles: | Cc1cccc(C)c1OCc1nc2C3C(C4=C(CC(C)(C)CC4=O)OC=3N=Cn2n1)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.86 |
| logD: | 4.86 |
| logSw: | -5.71 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 113.54 |
| InChI Key: | RXLFJOULSMERHI-XMMPIXPASA-N |