1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4590 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-5-(1H-pyrrol-1-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 397.88 |
| Molecular Formula: | C19 H16 Cl N5 O S |
| Smiles: | C(c1cccs1)NC(c1c(n2cccc2)n(Cc2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9306 |
| logD: | 3.9306 |
| logSw: | -4.5734 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.169 |
| InChI Key: | MMBFIENLOHIXMG-UHFFFAOYSA-N |