N-cyclohexyl-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-cyclohexyl-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4898 |
| Compound Name: | N-cyclohexyl-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C21 H25 N5 O |
| Smiles: | Cc1ccc(Cn2c(c(C(NC3CCCCC3)=O)nn2)n2cccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0798 |
| logD: | 4.0798 |
| logSw: | -4.0863 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.875 |
| InChI Key: | IHXYJKAZFFXHHQ-UHFFFAOYSA-N |