4-chloro-N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}benzamide
4-chloro-N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | D439-4222 |
| Compound Name: | 4-chloro-N-{4-methyl-3-[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C23 H22 Cl N5 O3 |
| Smiles: | CCCN1C=NC2=NC(COc3cc(ccc3C)NC(c3ccc(cc3)[Cl])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3242 |
| logD: | 3.2248 |
| logSw: | -3.7971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.173 |
| InChI Key: | KLIJELNBLZXSAY-UHFFFAOYSA-N |