N-(5-chloro-2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | D481-0174 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-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: | 472.95 |
| Molecular Formula: | C21 H21 Cl N6 O3 S |
| Smiles: | CC1=C(CCC(Nc2cc(ccc2OC)[Cl])=O)C(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9816 |
| logD: | 2.9384 |
| logSw: | -3.5462 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.721 |
| InChI Key: | YVCYQXAEROJNLT-UHFFFAOYSA-N |