N-{N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3,5-dimethoxybenzamide
N-{N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | L087-0245 |
| Compound Name: | N-{N'-(4-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 469.34 |
| Molecular Formula: | C22 H21 Br N4 O3 |
| Smiles: | COc1cc(cc(c1)OC)C(NC(/NCc1cccnc1)=N/c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7137 |
| logD: | 3.6767 |
| logSw: | -3.766 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.457 |
| InChI Key: | IOQNBSGNLKXCIV-UHFFFAOYSA-N |