N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-methoxybenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | F340-2545 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-methoxybenzamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C24 H27 N5 O4 |
| Smiles: | Cc1c(CN\C(NC(c2ccc(cc2)OC)=O)=N/c2ccc3c(c2)OCCO3)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8463 |
| logD: | 0.6476 |
| logSw: | -2.3008 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.058 |
| InChI Key: | QPGBUPFEHSSUOJ-UHFFFAOYSA-N |