N-{N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3-methylbenzamide
N-{N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | L087-1390 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-3-methylbenzamide |
| Molecular Weight: | 423.31 |
| Molecular Formula: | C21 H19 Br N4 O |
| Smiles: | Cc1cccc(c1)C(NC(/NCc1cccnc1)=N/c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9589 |
| logD: | 3.921 |
| logSw: | -3.7112 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.369 |
| InChI Key: | HTJKAAJFNZXUBR-UHFFFAOYSA-N |