N-{N'-[3-(propan-2-yl)phenyl]-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-[3-(propan-2-yl)phenyl]-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-[3-(propan-2-yl)phenyl]-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L087-1788 |
| Compound Name: | N-{N'-[3-(propan-2-yl)phenyl]-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C24 H24 N4 O3 |
| Smiles: | CC(C)c1cccc(c1)/N=C(/NCc1cccnc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9852 |
| logD: | 3.8737 |
| logSw: | -3.8863 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.485 |
| InChI Key: | VUQCPVQJTDDTHO-UHFFFAOYSA-N |