4-bromo-N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
4-bromo-N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2701 |
| Compound Name: | 4-bromo-N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 411.32 |
| Molecular Formula: | C16 H19 Br N4 O2 S |
| Smiles: | Cn1cc(c(C(Nc2c(C(N)=O)c3CCCCCCc3s2)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0857 |
| logD: | 0.3837 |
| logSw: | -2.6025 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.79 |
| InChI Key: | UMDYHUMQNVOWEJ-UHFFFAOYSA-N |