N-{N'-(3-chloro-4-fluorophenyl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-methylbenzamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | F341-2016 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-3-methylbenzamide |
| Molecular Weight: | 441.93 |
| Molecular Formula: | C23 H25 Cl F N5 O |
| Smiles: | Cc1cccc(c1)C(NC(\NCCc1c(C)nn(C)c1C)=N/c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8558 |
| logD: | 3.8207 |
| logSw: | -4.3025 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.532 |
| InChI Key: | MKDJZSHBHKDBLQ-UHFFFAOYSA-N |