N-{N'-(3-chloro-4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-fluorobenzamide
N-{N'-(3-chloro-4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | L088-0916 |
| Compound Name: | N-{N'-(3-chloro-4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-fluorobenzamide |
| Molecular Weight: | 405.86 |
| Molecular Formula: | C20 H21 Cl F N3 O3 |
| Smiles: | COc1ccc(cc1[Cl])/N=C(\NCC1CCCO1)NC(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2965 |
| logD: | 3.266 |
| logSw: | -3.7892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.136 |
| InChI Key: | JWIJAJQYQXKUKS-MRXNPFEDSA-N |