methyl 4-chloro-2-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
methyl 4-chloro-2-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | G532-0042 |
| Compound Name: | methyl 4-chloro-2-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C16 H19 Cl N4 O3 |
| Smiles: | Cc1c(CNC(Nc2cc(ccc2C(=O)OC)[Cl])=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8548 |
| logD: | 1.8086 |
| logSw: | -3.1709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.179 |
| InChI Key: | QYZDXUZURBXFSC-UHFFFAOYSA-N |