N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-5252 |
| Compound Name: | N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | COc1ccc(Cn2c(c(C(NC3CCCCCC3)=O)nn2)n2cccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1347 |
| logD: | 4.1347 |
| logSw: | -4.1595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.75 |
| InChI Key: | JKSWXCJPYGEVFS-UHFFFAOYSA-N |