4-chloro-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
4-chloro-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F341-1900 |
| Compound Name: | 4-chloro-N-{N'-[3-(methylsulfanyl)phenyl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide |
| Molecular Weight: | 456.01 |
| Molecular Formula: | C23 H26 Cl N5 O S |
| Smiles: | Cc1c(CCN\C(NC(c2ccc(cc2)[Cl])=O)=N/c2cccc(c2)SC)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9129 |
| logD: | 3.9006 |
| logSw: | -4.5091 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.532 |
| InChI Key: | GYXXSZNFFJPINL-UHFFFAOYSA-N |