N-{N'-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L087-0266 |
| Compound Name: | N-{N'-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | COc1cccc(c1)/N=C(\NCc1cccnc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8806 |
| logD: | 2.7771 |
| logSw: | -3.1886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.028 |
| InChI Key: | QPAGSSTXUAWHKK-UHFFFAOYSA-N |