4-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
4-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-1773 |
| Compound Name: | 4-acetamido-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C25 H28 N6 O4 |
| Smiles: | CC(Nc1ccc(cc1)C(NC(/NCc1c(C)nn(C)c1C)=N/c1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0651 |
| logD: | -0.1335 |
| logSw: | -2.1417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.776 |
| InChI Key: | YLXXIRGFWBURJX-UHFFFAOYSA-N |