N-(5-chloro-2-methylphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-(5-chloro-2-methylphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D481-0182 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C21 H21 Cl N6 O2 S |
| Smiles: | CC1=C(CCC(Nc2cc(ccc2C)[Cl])=O)C(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1859 |
| logD: | 3.1427 |
| logSw: | -3.5266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.09 |
| InChI Key: | ARUSNIYTTZLLDC-UHFFFAOYSA-N |