N-{N'-(3-chloro-2-methylphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-2-methylphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide
N-{N'-(3-chloro-2-methylphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide
Compound characteristics
Compound ID: | F340-0353 |
Compound Name: | N-{N'-(3-chloro-2-methylphenyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide |
Molecular Weight: | 452 |
Molecular Formula: | C25 H30 Cl N5 O |
Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(C)c(C)c2)=O)=N/c2cccc(c2C)[Cl])c(C)n1 |
Stereo: | ACHIRAL |
logP: | 5.2257 |
logD: | 5.0225 |
logSw: | -5.8012 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.432 |
InChI Key: | HLTQKAUWEOBDRU-UHFFFAOYSA-N |