6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0082 |
| Compound Name: | 6-[2-(4-chlorophenyl)-2-oxoethyl]-3-[(4-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C20 H16 Cl N5 O2 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(c4ccc(cc4)[Cl])=O)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7041 |
| logD: | 2.704 |
| logSw: | -3.4408 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.269 |
| InChI Key: | YDBCYCNURNFBSE-UHFFFAOYSA-N |