N-{N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L087-0906 |
| Compound Name: | N-{N'-(3-chloro-4-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C22 H19 Cl N4 O4 |
| Smiles: | COc1ccc(cc1[Cl])/N=C(\NCc1cccnc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.092 |
| logD: | 3.0039 |
| logSw: | -3.5914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.115 |
| InChI Key: | XCVQRCPRLFNOGI-UHFFFAOYSA-N |