N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethoxybenzamide
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}-3,4-dimethoxybenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | F340-1589 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 479.54 |
| Molecular Formula: | C25 H29 N5 O5 |
| Smiles: | Cc1c(CN\C(NC(c2ccc(c(c2)OC)OC)=O)=N/c2ccc3c(c2)OCCO3)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.4881 |
| logD: | 0.2895 |
| logSw: | -2.1551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.775 |
| InChI Key: | UZPVEHGUIGNTRD-UHFFFAOYSA-N |