methyl 4-chloro-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzoate
methyl 4-chloro-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | G531-0213 |
| Compound Name: | methyl 4-chloro-2-{methyl[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamamido}benzoate |
| Molecular Weight: | 378.86 |
| Molecular Formula: | C18 H23 Cl N4 O3 |
| Smiles: | Cc1c(CCN(C)C(Nc2cc(ccc2C(=O)OC)[Cl])=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5183 |
| logD: | 2.1799 |
| logSw: | -3.5508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.504 |
| InChI Key: | XSUKCYAQDLSOTP-UHFFFAOYSA-N |