N-[(5-{[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(5-{[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
N-[(5-{[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-0560 |
| Compound Name: | N-[(5-{[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-fluorophenyl)methanesulfonamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C22 H26 F N5 O3 S2 |
| Smiles: | Cc1cc(C(CSc2nnc(CN(c3ccc(cc3)F)S(C)(=O)=O)n2C)=O)c(C)n1C1CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3022 |
| logD: | 2.3022 |
| logSw: | -2.9868 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.692 |
| InChI Key: | DJNDTTZDYXUPFN-UHFFFAOYSA-N |