4-tert-butyl-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
4-tert-butyl-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F340-0208 |
| Compound Name: | 4-tert-butyl-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}benzamide |
| Molecular Weight: | 489.62 |
| Molecular Formula: | C28 H35 N5 O3 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(cc2)C(C)(C)C)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1971 |
| logD: | 2.9984 |
| logSw: | -4.2325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.953 |
| InChI Key: | HHJGDCBHHRCFKU-UHFFFAOYSA-N |