1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[2-(thiophen-2-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[2-(thiophen-2-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[2-(thiophen-2-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4598 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[2-(thiophen-2-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C20 H18 Cl N5 O S |
| Smiles: | C(CNC(c1c(n2cccc2)n(Cc2ccc(cc2)[Cl])nn1)=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 3.8482 |
| logD: | 3.8482 |
| logSw: | -4.5856 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.01 |
| InChI Key: | DZSCMZOZEFDINV-UHFFFAOYSA-N |