N-(4-chlorophenyl)-2,2-dimethyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propanamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2,2-dimethyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propanamide
N-(4-chlorophenyl)-2,2-dimethyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | D433-0991 |
| Compound Name: | N-(4-chlorophenyl)-2,2-dimethyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propanamide |
| Molecular Weight: | 373.84 |
| Molecular Formula: | C18 H20 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(C(C)(C)C)=O)c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9102 |
| logD: | 0.2575 |
| logSw: | -3.5121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.618 |
| InChI Key: | KBOIPKPXYMDBGP-UHFFFAOYSA-N |