3-(1,3-benzothiazol-2-yl)-1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S970-0457 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}propan-1-one |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H21 F2 N5 O S |
| Smiles: | C(Cc1nc2ccccc2s1)C(N1CC(C[C@H]1c1nncn1CC1CC1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0917 |
| logD: | 3.0917 |
| logSw: | -3.1606 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.176 |
| InChI Key: | KASIAOJWLJTQNJ-HNNXBMFYSA-N |