2-({5-[(4-chloro-3-methyl-1H-pyrazol-1-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Chemical Structure Depiction of
2-({5-[(4-chloro-3-methyl-1H-pyrazol-1-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
2-({5-[(4-chloro-3-methyl-1H-pyrazol-1-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Compound characteristics
| Compound ID: | Y504-8730 |
| Compound Name: | 2-({5-[(4-chloro-3-methyl-1H-pyrazol-1-yl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid |
| Molecular Weight: | 329.81 |
| Molecular Formula: | C12 H16 Cl N5 O2 S |
| Smiles: | CCn1c(Cn2cc(c(C)n2)[Cl])nnc1SC(C)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9124 |
| logD: | -2.1427 |
| logSw: | -2.3615 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.752 |
| InChI Key: | MBKRBGHAOWYGEV-QMMMGPOBSA-N |