N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-methoxybenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | F340-1228 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-4-methoxybenzamide |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C25 H29 N5 O4 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(cc2)OC)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.385 |
| logD: | 1.1864 |
| logSw: | -2.9435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.496 |
| InChI Key: | AKULBCNGHPSIFZ-UHFFFAOYSA-N |