7-(3-fluoro-4-methylanilino)-2-[(4-methoxyphenyl)methyl]-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
7-(3-fluoro-4-methylanilino)-2-[(4-methoxyphenyl)methyl]-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
7-(3-fluoro-4-methylanilino)-2-[(4-methoxyphenyl)methyl]-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7894 |
| Compound Name: | 7-(3-fluoro-4-methylanilino)-2-[(4-methoxyphenyl)methyl]-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | CC1=CC(Nc2ccc(C)c(c2)F)=NC2=NN(Cc3ccc(cc3)OC)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0508 |
| logD: | 4.0481 |
| logSw: | -4.2213 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.054 |
| InChI Key: | FDFXEBIKVVYCAY-UHFFFAOYSA-N |