N-butyl-2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-methylacetamide
Chemical Structure Depiction of
N-butyl-2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-methylacetamide
N-butyl-2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-methylacetamide
Compound characteristics
| Compound ID: | P032-1111 |
| Compound Name: | N-butyl-2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-methylacetamide |
| Molecular Weight: | 387.87 |
| Molecular Formula: | C19 H22 Cl N5 O2 |
| Smiles: | CCCCN(C)C(CN1C(N2C(C=C(C)N=C2c2cccc(c2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8503 |
| logD: | 2.8326 |
| logSw: | -3.4127 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.868 |
| InChI Key: | SWIIKYNBMLHXTC-UHFFFAOYSA-N |