(1-methyl-1H-pyrrol-2-yl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Chemical Structure Depiction of
(1-methyl-1H-pyrrol-2-yl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
(1-methyl-1H-pyrrol-2-yl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | S564-0430 |
| Compound Name: | (1-methyl-1H-pyrrol-2-yl){4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}methanone |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C20 H23 N5 O |
| Smiles: | Cn1cccc1C(N1CCC(CC1)Cc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4336 |
| logD: | 3.3978 |
| logSw: | -3.5014 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.807 |
| InChI Key: | CDMUFJALHPNSGX-UHFFFAOYSA-N |