N-(4-chlorophenyl)-2-methoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-methoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]acetamide
N-(4-chlorophenyl)-2-methoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D433-0956 |
| Compound Name: | N-(4-chlorophenyl)-2-methoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]acetamide |
| Molecular Weight: | 361.79 |
| Molecular Formula: | C16 H16 Cl N5 O3 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(COC)=O)c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2403 |
| logD: | -1.4123 |
| logSw: | -2.6577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.515 |
| InChI Key: | PHUHDDLRWBVQTN-UHFFFAOYSA-N |