2-{[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
2-{[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | Y501-2991 |
| Compound Name: | 2-{[(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide |
| Molecular Weight: | 471.4 |
| Molecular Formula: | C16 H19 Br N6 O2 S2 |
| Smiles: | CCN1CCc2c(C(N)=O)c(NC(NC(c3c(cnn3C)[Br])=O)=S)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 0.8547 |
| logD: | 0.1914 |
| logSw: | -2.1786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84 |
| InChI Key: | ZAYBVMVNKZEOTF-UHFFFAOYSA-N |