N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-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-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide
N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | F340-0379 |
| Compound Name: | N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-3,4-dimethylbenzamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C26 H31 N5 O3 |
| Smiles: | CCn1c(C)c(CN\C(NC(c2ccc(C)c(C)c2)=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3885 |
| logD: | 2.1899 |
| logSw: | -3.6741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.953 |
| InChI Key: | NCHUHTAMITUWJH-UHFFFAOYSA-N |