3-{2-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SB34-0116 |
| Compound Name: | 3-{2-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C19 H20 F N5 O3 |
| Smiles: | C1CC1c1nc([C@@H]2CN(C[C@H]2CF)C(CN2C(=O)Oc3ccccc23)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4907 |
| logD: | 1.4704 |
| logSw: | -2.217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.729 |
| InChI Key: | SCRBQHWXMGXFMA-STQMWFEESA-N |