ethyl 1-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2953 |
| Compound Name: | ethyl 1-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C20 H21 F N4 O3 S2 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CC(Nc2nnc(SCC)s2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.444 |
| logD: | 5.4384 |
| logSw: | -5.4017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.727 |
| InChI Key: | KKPZEQJXIXPVNO-UHFFFAOYSA-N |