N-{N'-(3-chloro-4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
N-{N'-(3-chloro-4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L088-0912 |
| Compound Name: | N-{N'-(3-chloro-4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 431.87 |
| Molecular Formula: | C21 H22 Cl N3 O5 |
| Smiles: | COc1ccc(cc1[Cl])/N=C(\NCC1CCCO1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1899 |
| logD: | 3.1738 |
| logSw: | -3.6844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.252 |
| InChI Key: | ZQADHHWBQSIOHD-OAHLLOKOSA-N |