4-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
4-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2823 |
| Compound Name: | 4-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 411.32 |
| Molecular Formula: | C16 H19 Br N4 O2 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(c3c(c(C)n(C)n3)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7444 |
| logD: | 0.2198 |
| logSw: | -2.4649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.136 |
| InChI Key: | AWNGWEXGARDHDG-SSDOTTSWSA-N |