N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-methoxybenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | F341-1040 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}-4-methoxybenzamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C26 H31 N5 O4 |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(cc2)OC)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5064 |
| logD: | 1.9414 |
| logSw: | -2.9797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.338 |
| InChI Key: | DOZQRUYDSXSEKJ-UHFFFAOYSA-N |