N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-1700 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 484.35 |
| Molecular Formula: | C22 H22 Br N5 O3 |
| Smiles: | Cc1c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2cccc(c2)[Br])c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4846 |
| logD: | 3.266 |
| logSw: | -3.8207 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.806 |
| InChI Key: | FHTSTHLXLAESFJ-UHFFFAOYSA-N |