3-bromo-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
3-bromo-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
3-bromo-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-2154 |
| Compound Name: | 3-bromo-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 498.38 |
| Molecular Formula: | C23 H24 Br N5 O3 |
| Smiles: | Cc1c(CN\C(NC(c2cccc(c2)[Br])=O)=N/c2ccc3c(c2)OCCO3)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7128 |
| logD: | 1.5141 |
| logSw: | -3.2794 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.514 |
| InChI Key: | INZMCUULFIZOGP-UHFFFAOYSA-N |