3-chloro-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-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
3-chloro-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: | F340-1554 |
| Compound Name: | 3-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 453.93 |
| Molecular Formula: | C23 H24 Cl N5 O3 |
| Smiles: | Cc1c(CN\C(NC(c2cccc(c2)[Cl])=O)=N/c2ccc3c(c2)OCCO3)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5267 |
| logD: | 1.328 |
| logSw: | -3.5754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.514 |
| InChI Key: | HFPFFGIUBLVZMY-UHFFFAOYSA-N |