1-(adamantan-1-yl)-4-bromo-N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-bromo-N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-bromo-N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-6275 |
| Compound Name: | 1-(adamantan-1-yl)-4-bromo-N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 573.6 |
| Molecular Formula: | C28 H37 Br N4 O2 S |
| Smiles: | [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C[C@@](C2)(C3)n1cc(c(C(Nc2c(C(N)=O)c3CCC(Cc3s2)C(C)(C)CC)=O)n1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.553 |
| logD: | 3.851 |
| logSw: | -5.4001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.699 |
| InChI Key: | GLDYRXLFSUFMHA-ASELWCQQSA-N |