(5-bromofuran-2-yl){(2S)-2-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
Chemical Structure Depiction of
(5-bromofuran-2-yl){(2S)-2-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
(5-bromofuran-2-yl){(2S)-2-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone
Compound characteristics
| Compound ID: | P930-2868 |
| Compound Name: | (5-bromofuran-2-yl){(2S)-2-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyrrolidin-1-yl}methanone |
| Molecular Weight: | 353.22 |
| Molecular Formula: | C14 H17 Br N4 O2 |
| Smiles: | CC(C)c1nnc([C@@H]2CCCN2C(c2ccc(o2)[Br])=O)[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 1.8437 |
| logD: | 1.8417 |
| logSw: | -2.118 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.657 |
| InChI Key: | SMISLZWMNXXRJH-VIFPVBQESA-N |