N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethoxybenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | F340-3673 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H31 N5 O5 |
| Smiles: | CCCn1cc(CN\C(NC(c2ccc(c(c2)OC)OC)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1813 |
| logD: | 1.5581 |
| logSw: | -2.8133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.044 |
| InChI Key: | LSFZNPWSYGNQJI-UHFFFAOYSA-N |