1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}-4-(1H-indol-3-yl)butan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}-4-(1H-indol-3-yl)butan-1-one
1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}-4-(1H-indol-3-yl)butan-1-one
Compound characteristics
| Compound ID: | S970-0406 |
| Compound Name: | 1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}-4-(1H-indol-3-yl)butan-1-one |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C22 H25 F2 N5 O |
| Smiles: | C(CC(N1CC(C[C@H]1c1nncn1CC1CC1)(F)F)=O)Cc1c[nH]c2ccccc12 |
| Stereo: | ABSOLUTE |
| logP: | 3.089 |
| logD: | 3.089 |
| logSw: | -3.1327 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.831 |
| InChI Key: | QOHRVGQGPYOMBJ-IBGZPJMESA-N |