4-chloro-N-{N'-(3-chloro-4-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{N'-(3-chloro-4-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
4-chloro-N-{N'-(3-chloro-4-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-1291 |
| Compound Name: | 4-chloro-N-{N'-(3-chloro-4-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 448.33 |
| Molecular Formula: | C21 H20 Cl2 F N5 O |
| Smiles: | Cc1c(CN\C(NC(c2ccc(cc2)[Cl])=O)=N/c2ccc(c(c2)[Cl])F)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9581 |
| logD: | 3.8589 |
| logSw: | -4.4504 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.691 |
| InChI Key: | CPSSFZGVVLBIQK-UHFFFAOYSA-N |