N-{N'-(4-bromophenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(4-bromophenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-3-methoxybenzamide
N-{N'-(4-bromophenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | F430-2821 |
| Compound Name: | N-{N'-(4-bromophenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-3-methoxybenzamide |
| Molecular Weight: | 439.31 |
| Molecular Formula: | C21 H19 Br N4 O2 |
| Smiles: | COc1cccc(c1)C(NC(/NCc1ccncc1)=N/c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3816 |
| logD: | 3.2858 |
| logSw: | -3.6638 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.823 |
| InChI Key: | ITBHLAVONXEDIY-UHFFFAOYSA-N |