methyl 4-{3-[(5-bromofuran-2-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{3-[(5-bromofuran-2-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
methyl 4-{3-[(5-bromofuran-2-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate
Compound characteristics
| Compound ID: | 8018-1264 |
| Compound Name: | methyl 4-{3-[(5-bromofuran-2-carbonyl)amino]-5-methyl-1H-pyrazol-1-yl}butanoate |
| Molecular Weight: | 370.2 |
| Molecular Formula: | C14 H16 Br N3 O4 |
| Smiles: | Cc1cc(NC(c2ccc(o2)[Br])=O)nn1CCCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8469 |
| logD: | -0.048 |
| logSw: | -2.2918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.58 |
| InChI Key: | NVTPBDWFJIYDOS-UHFFFAOYSA-N |