{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[1-(4-methoxyphenyl)cyclohexyl]methanone
Chemical Structure Depiction of
{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[1-(4-methoxyphenyl)cyclohexyl]methanone
{(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[1-(4-methoxyphenyl)cyclohexyl]methanone
Compound characteristics
| Compound ID: | P930-5561 |
| Compound Name: | {(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}[1-(4-methoxyphenyl)cyclohexyl]methanone |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C26 H29 F N4 O2 |
| Smiles: | COc1ccc(cc1)C1(CCCCC1)C(N1CCC[C@H]1c1nnc(c2ccc(cc2)F)[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.4752 |
| logD: | 4.4397 |
| logSw: | -4.1695 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.924 |
| InChI Key: | BQTZQXMPNIIIOZ-QFIPXVFZSA-N |