N-{N'-(5-chloro-2-methoxyphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(5-chloro-2-methoxyphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(5-chloro-2-methoxyphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F340-1672 |
| Compound Name: | N-{N'-(5-chloro-2-methoxyphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 469.93 |
| Molecular Formula: | C23 H24 Cl N5 O4 |
| Smiles: | Cc1c(CN\C(NC(c2ccc3c(c2)OCO3)=O)=N/c2cc(ccc2OC)[Cl])c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9827 |
| logD: | 2.8806 |
| logSw: | -3.6597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.739 |
| InChI Key: | WFXSQOBORQPZSX-UHFFFAOYSA-N |