1-[(3-chlorophenyl)methyl]-N-(3-methylbutyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-N-(3-methylbutyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
1-[(3-chlorophenyl)methyl]-N-(3-methylbutyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L116-4684 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-N-(3-methylbutyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 371.87 |
| Molecular Formula: | C19 H22 Cl N5 O |
| Smiles: | CC(C)CCNC(c1c(n2cccc2)n(Cc2cccc(c2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0428 |
| logD: | 4.0428 |
| logSw: | -4.3361 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.263 |
| InChI Key: | MYJJWHIRPJQNTA-UHFFFAOYSA-N |