N-{N'-(2-methoxy-5-methylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(2-methoxy-5-methylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(2-methoxy-5-methylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-1696 |
| Compound Name: | N-{N'-(2-methoxy-5-methylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C24 H27 N5 O4 |
| Smiles: | Cc1ccc(c(c1)/N=C(\NCc1c(C)nn(C)c1C)NC(c1ccc2c(c1)OCO2)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8581 |
| logD: | 2.135 |
| logSw: | -3.3651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.739 |
| InChI Key: | VJKSKPAOMROGFY-UHFFFAOYSA-N |