4-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
4-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-3229 |
| Compound Name: | 4-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 383.26 |
| Molecular Formula: | C14 H15 Br N4 O2 S |
| Smiles: | Cn1c(C(Nc2c(C(N)=O)c3CCCCc3s2)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.1753 |
| logD: | -1.3983 |
| logSw: | -2.1131 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.619 |
| InChI Key: | JYTVQXBLDQXENU-UHFFFAOYSA-N |