N-{N'-(2-methoxy-5-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(2-methoxy-5-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(2-methoxy-5-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L088-1251 |
| Compound Name: | N-{N'-(2-methoxy-5-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C22 H25 N3 O5 |
| Smiles: | Cc1ccc(c(c1)/N=C(\NCC1CCCO1)NC(c1ccc2c(c1)OCO2)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9816 |
| logD: | 2.9435 |
| logSw: | -3.3219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.554 |
| InChI Key: | XAOJKBGPFPOZAD-MRXNPFEDSA-N |