N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | E751-3728 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C20 H20 N6 O S2 |
| Smiles: | CCSc1nnc(NC(c2c(C)nn(c3ccc(C)cc3)c2n2cccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1356 |
| logD: | 5.1323 |
| logSw: | -5.0114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.445 |
| InChI Key: | BSDLHXASFKYYEU-UHFFFAOYSA-N |