N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | F340-1625 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | Cc1ccc(cc1C)C(NC(/NCc1c(C)nn(C)c1C)=N/c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8498 |
| logD: | 1.6512 |
| logSw: | -3.255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.514 |
| InChI Key: | ISKLHHAFBWOKAU-UHFFFAOYSA-N |