N-{N'-[4-(propan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-[4-(propan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-[4-(propan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F430-0477 |
| Compound Name: | N-{N'-[4-(propan-2-yl)phenyl]-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C24 H24 N4 O3 |
| Smiles: | CC(C)c1ccc(cc1)/N=C(\NCc1ccncc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7462 |
| logD: | 3.2012 |
| logSw: | -3.8538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.395 |
| InChI Key: | UTJMILDTXPQZQE-UHFFFAOYSA-N |