1-(7-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Chemical Structure Depiction of
1-(7-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
1-(7-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | 5976-1045 |
| Compound Name: | 1-(7-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C22 H21 Cl N4 O3 |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)OCc2ccc(cc2)[Cl])n2c(N1)ncn2)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6169 |
| logD: | 3.5488 |
| logSw: | -4.1459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.761 |
| InChI Key: | HIJNJUMUJMOUEO-NRFANRHFSA-N |