N-{N'-(3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L088-0271 |
| Compound Name: | N-{N'-(3-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | COc1cccc(c1)/N=C(\NCC1CCCO1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9785 |
| logD: | 2.9596 |
| logSw: | -3.3613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.165 |
| InChI Key: | NSUSZUYNZFFQDH-QGZVFWFLSA-N |