5-{1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1312 |
| Compound Name: | 5-{1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-4-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2ccc(cc2)n2c(C)ccc2C)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1982 |
| logD: | 3.192 |
| logSw: | -2.9744 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.626 |
| InChI Key: | LILFJVWLURNPHX-UHFFFAOYSA-N |