methyl 3-[2-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanamido]thiophene-2-carboxylate
methyl 3-[2-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y502-5582 |
| Compound Name: | methyl 3-[2-(4-bromo-5-methyl-1H-pyrazol-1-yl)propanamido]thiophene-2-carboxylate |
| Molecular Weight: | 372.24 |
| Molecular Formula: | C13 H14 Br N3 O3 S |
| Smiles: | CC(C(Nc1ccsc1C(=O)OC)=O)n1c(C)c(cn1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0714 |
| logD: | 1.9763 |
| logSw: | -2.6058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.113 |
| InChI Key: | VXAGZPGCIHGQGD-QMMMGPOBSA-N |