N-{N'-(3-chloro-2-methylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-chloro-2-methylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-chloro-2-methylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-1673 |
| Compound Name: | N-{N'-(3-chloro-2-methylphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 453.93 |
| Molecular Formula: | C23 H24 Cl N5 O3 |
| Smiles: | Cc1c(cccc1[Cl])/N=C(\NCc1c(C)nn(C)c1C)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6235 |
| logD: | 3.4322 |
| logSw: | -4.1019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.108 |
| InChI Key: | YCIPLBUEHKPJAC-UHFFFAOYSA-N |