N-{N'-(3-ethylphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-ethylphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-ethylphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F430-0479 |
| Compound Name: | N-{N'-(3-ethylphenyl)-N-[(pyridin-4-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | CCc1cccc(c1)/N=C(\NCc1ccncc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4768 |
| logD: | 3.0763 |
| logSw: | -3.5023 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.395 |
| InChI Key: | KFDDQYMHYJWQPS-UHFFFAOYSA-N |