N-(4-fluorophenyl)-N-{[5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-{[5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
N-(4-fluorophenyl)-N-{[5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | D532-0458 |
| Compound Name: | N-(4-fluorophenyl)-N-{[5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}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)n2CC=C)=O)c(C)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.4271 |
| logD: | 2.4271 |
| logSw: | -2.9395 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.035 |
| InChI Key: | RZAVMXGDVNQBOW-UHFFFAOYSA-N |