N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3,5-dimethoxybenzamide
N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | L088-1413 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 462.34 |
| Molecular Formula: | C21 H24 Br N3 O4 |
| Smiles: | COc1cc(cc(c1)OC)C(NC(/NCC1CCCO1)=N/c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9512 |
| logD: | 3.9451 |
| logSw: | -4.0831 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.593 |
| InChI Key: | MHGOEAYPQRPYML-QGZVFWFLSA-N |