{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
Chemical Structure Depiction of
{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone
Compound characteristics
| Compound ID: | S517-0787 |
| Compound Name: | {4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]methanone |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(c1cc(c2ccc(cc2)OC)n(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9776 |
| logD: | 2.9736 |
| logSw: | -3.2459 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.249 |
| InChI Key: | WVEQPMJAPJYIME-UHFFFAOYSA-N |