(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)(1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)methanone
Chemical Structure Depiction of
(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)(1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)methanone
(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)(1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)methanone
Compound characteristics
Compound ID: | T501-1289 |
Compound Name: | (3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)(1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)methanone |
Molecular Weight: | 431.58 |
Molecular Formula: | C26 H33 N5 O |
Smiles: | CCn1c(cc(C(N2CCCC(Cc3nncn3CC3CC3)C2)=O)c1C)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0414 |
logD: | 4.0414 |
logSw: | -4.1591 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 43.08 |
InChI Key: | JVEGCILBBGKZHR-OAQYLSRUSA-N |