N-{N'-(3-methoxyphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-methoxyphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-methoxyphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F430-0469 |
| Compound Name: | N-{N'-(3-methoxyphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | COc1cccc(c1)/N=C(\NCc1ccncc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7517 |
| logD: | 2.5096 |
| logSw: | -3.0558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.939 |
| InChI Key: | MPTSGQLPBKYXHE-UHFFFAOYSA-N |