(2,4-dimethoxyphenyl){(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
Chemical Structure Depiction of
(2,4-dimethoxyphenyl){(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
(2,4-dimethoxyphenyl){(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
Compound characteristics
| Compound ID: | P930-5497 |
| Compound Name: | (2,4-dimethoxyphenyl){(2S)-2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C21 H21 F N4 O3 |
| Smiles: | COc1ccc(C(N2CCC[C@H]2c2nnc(c3ccc(cc3)F)[nH]2)=O)c(c1)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.7458 |
| logD: | 2.7102 |
| logSw: | -3.2832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.634 |
| InChI Key: | UDCMZNFPODGVQI-KRWDZBQOSA-N |