N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2-methylbenzamide
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}-2-methylbenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2-methylbenzamide
Compound characteristics
| Compound ID: | F340-3692 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2-methylbenzamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | CCCn1cc(CN\C(NC(c2ccccc2C)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.776 |
| logD: | 1.5774 |
| logSw: | -3.2546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.783 |
| InChI Key: | LBZSKUQGOYIVMB-UHFFFAOYSA-N |