3-cyclopropyl-5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
Compound ID: | SB34-0111 |
Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
Molecular Weight: | 369.42 |
Molecular Formula: | C15 H20 F N5 O3 S |
Smiles: | Cc1c(c(C)on1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)(=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.9643 |
logD: | 0.9613 |
logSw: | -2.2113 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.257 |
InChI Key: | QWHAIRDSRGGWJU-VXGBXAGGSA-N |