N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-3-chlorobenzamide
Chemical Structure Depiction of
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-3-chlorobenzamide
N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-3-chlorobenzamide
Compound characteristics
| Compound ID: | F430-1442 |
| Compound Name: | N-{N'-(2H-1,3-benzodioxol-5-yl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-3-chlorobenzamide |
| Molecular Weight: | 408.84 |
| Molecular Formula: | C21 H17 Cl N4 O3 |
| Smiles: | C(c1ccncc1)N/C(NC(c1cccc(c1)[Cl])=O)=N/c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2841 |
| logD: | 2.8063 |
| logSw: | -3.6825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.395 |
| InChI Key: | CNRSGKKFYKXFOH-UHFFFAOYSA-N |