3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
Chemical Structure Depiction of
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | D481-0018 |
| Compound Name: | 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-chloro-2-methoxyphenyl)propanamide |
| Molecular Weight: | 466.93 |
| Molecular Formula: | C23 H23 Cl N6 O3 |
| Smiles: | CC1=C(CCC(Nc2cc(ccc2OC)[Cl])=O)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0066 |
| logD: | 2.9634 |
| logSw: | -3.5162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.702 |
| InChI Key: | KBGSAWYVWSEURX-UHFFFAOYSA-N |