N-{N'-(3-bromophenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-bromophenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F430-0498 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C21 H17 Br N4 O3 |
| Smiles: | C(c1ccncc1)N\C(NC(c1ccc2c(c1)OCO2)=O)=N/c1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3815 |
| logD: | 3.2895 |
| logSw: | -3.5016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.395 |
| InChI Key: | XMGLKEITIFJRAO-UHFFFAOYSA-N |