N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L088-1398 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 446.3 |
| Molecular Formula: | C20 H20 Br N3 O4 |
| Smiles: | C1CC(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2cccc(c2)[Br])OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6082 |
| logD: | 3.6019 |
| logSw: | -3.7062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.621 |
| InChI Key: | BVDJSSNFFMOGOH-MRXNPFEDSA-N |