N-benzyl-1-[4-(propan-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[4-(propan-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-[4-(propan-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-7951 |
| Compound Name: | N-benzyl-1-[4-(propan-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 385.47 |
| Molecular Formula: | C23 H23 N5 O |
| Smiles: | CC(C)c1ccc(cc1)n1c(c(C(NCc2ccccc2)=O)nn1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8064 |
| logD: | 4.8064 |
| logSw: | -4.4654 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.286 |
| InChI Key: | JXZQQZNFEMMNKH-UHFFFAOYSA-N |