N-{N'-[4-(butan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-[4-(butan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-[4-(butan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F430-1756 |
| Compound Name: | N-{N'-[4-(butan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | CCC(C)c1ccc(cc1)/N=C(\NCc1ccncc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3361 |
| logD: | 3.791 |
| logSw: | -4.0787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.395 |
| InChI Key: | MOLAHEZAGQPHLM-KRWDZBQOSA-N |