2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-1-yl]-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-1-yl]-N-(4-bromophenyl)acetamide
2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-1-yl]-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | C201-0142 |
| Compound Name: | 2-[5-amino-3-(ethylsulfanyl)-4-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-1-yl]-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 509.44 |
| Molecular Formula: | C20 H21 Br N4 O3 S2 |
| Smiles: | CCSc1c(c(N)n(CC(Nc2ccc(cc2)[Br])=O)n1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1355 |
| logD: | 4.1353 |
| logSw: | -4.1725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.976 |
| InChI Key: | PYZBXLRNNDTNAE-UHFFFAOYSA-N |