4-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
4-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-3678 |
| Compound Name: | 4-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C26 H30 N6 O4 |
| Smiles: | CCCn1cc(CN\C(NC(c2ccc(cc2)NC(C)=O)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7583 |
| logD: | 1.1351 |
| logSw: | -2.2619 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.045 |
| InChI Key: | PKQDCBJMULTSNP-UHFFFAOYSA-N |